!****************************************************************************
!
! JetSurF version 1.0 - A Jet Surrogate Fuel Model - September 2009
!
! B. Sirjean, E. Dames, D. A. Sheen, X.-Q. You, C. Sung, A. T. Holley, 
! F. N. Egolfopoulos, H. Wang, S. S. Vasu, D. F. Davidson, R. K. Hanson,
! C. T. Bowman, A. Kelley, C. K. Law, W. Tsang, N. P. Cernansky, D. L. Miller, 
! A. Violi, R. P. Lindstedt, A high-temperature chemical kinetic model of 
! n-alkane oxidation, JetSurF version 1.0, September 15, 2009, 
! (http://melchior.usc.edu/JetSurF1.0).
!
!
!
! Questions and comments: haiw@usc.edu and sirjean@usc.edu 
!
!****************************************************************************
!
!Model description: A high-temperature kinetic model (194 species, 1459 reactions) is  
!proposed for the combustion of normal alkanes up to n-dodecane. The base model of H2  
!/CO/C1-C4 combustion is the USC-Mech II (111 species, 784 reactions). 631 reactions   
!along with 64 species are added into the base model to describe high-temperature   
!reaction kinetics of normal alkanes (CnH2n+2, 5<=n<=12).Additionally, a 4-species, 
!12-step lumped, low-temperature n-dodecane oxidation model is appended to capture 
!some of the low- to intermediate-temperature chemistry.
!
!Reference: Xiaoqing You, Fokion Egolfopoulos, Hai Wang, "Detailed and simplified kinetic 
!models of  of n-dodecane oxidation : the role of fuel cracking in aliphatic hydrocarbon 
!combustion," Proceedings of the Combustion Instituite, doi:10.1016/j.proci.2008.06.041 
!(2009).
! 
!
!****************************************************************************
!
! Baptiste Sirjean:
! - C-H beta-scission of alkyl radicals (5<C<12) removed 
! - 1,4, 1,5 and 1,6 H-shift rate constants updated and added  
! - 1,2 and 1,3 H-shift (through 3 and 4 member ring) removed
! - Rate constants of C-C bond beta-scission of alkyl radicals updated
! - kinetic parameters of H-abstractions by OH and H from alkanes (C5 to C12) updated 
! - Pressure dependence of H-shift and beta-scission reactions rate constants added
! - decomposition pathways of 1-alkenes added
! Enoch Dames:
! - H abstraction reactions (by H, O, OH, O2, HO2, CH3) for NC5H12, NC6H14, NC7H16, 
!   NC8H18, NC9H20, NC10H22, NC11H24 leading to relevant SnX radical product species.
! - Made relevant changes to NC12H24 H-abstraction reactions (multiplying rate constants 
!   by 2 to account for path deneracy where needed). Also corrected 
!   NC12H26+CH3 = PXC12H25+CH4 rate constant, as it was 2x too large.  
!
!                              July 2008
!
!****************************************************************************
!
! Added reactions for n-pentane, n-hexane, n-heptane, n-octane, n-nonane,
! n-decane, n-undecane, n-dodecane.
!
! Xiaoqing You  (06/2007-12/2007) 
!
!****************************************************************************
!
! USC Mech ver 2.0
! Release date: May 2007
!
! The reaction model includes the high-temperature chemistry of
! H2/CO/C1-C4 compounds.
!
! How to cite:
! Hai Wang, Xiaoqing You, Ameya V. Joshi, Scott G. Davis, Alexander Laskin, 
! Fokion Egolfopoulos, and Chung K. Law,  USC Mech Version II. 
! High-Temperature Combustion Reaction Model of H2/CO/C1-C4 Compounds. 
! http://ignis.usc.edu/USC_Mech_II.htm, May 2007. 
!
!****************************************************************************
! CO+OH, OH+HO2 and CO+HO2 Updated May 2007 by Xiaoqing You.
!***************************************************************************
! Last updated April 2005 for H2/CO Chemistry by Ameya Joshi
!****************************************************************************
!          Revised H2/CO high temperature Combustion Mechanism
!
!              Scott Davis, Ameya Joshi, and Hai Wang
!Department of Mechanical Engineering, University of Delaware, Neark, DE 19716
! 
!                                 January 2003
!
!****************************************************************************
!
! Added the mechanism of n-butane combustion
! Added the mechanism of benzene and toluene combustion
!
! Ameya Joshi and Hai Wang, October 2001
!
!****************************************************************************
!          A Detailed Kinetic Model of 1,3-Butadiene Combustion
!
!                     Alexander Laskin and Hai Wang
!Department of Mechanical Engineering, University of Delaware, Neark, DE 19716
!
!                          Chung K. Law 
!Department of Mechanical and Aerospace Engineering, Princeton University
!    
!                                 June 1999
!
!****************************************************************************
!
! Reference sources can be found at the end of the file.
!
!============================================================================  
ELEMENTS
O  H  C  N  AR  HE 
END
SPECIES
!
 AR  N2  HE
!
 H         O         OH        HO2       H2        H2O       H2O2      O2
!
 C         CH        CH2       CH2*      CH3       CH4   
 HCO       CH2O      CH3O      CH2OH     CH3OH     CO        CO2       C2O
!
 C2H       C2H2      H2CC      C2H3      C2H4      C2H5      C2H6
 HCCO      HCCOH     CH2CO     CH3CO     CH2CHO    CH2OCH    CH3CHO    CH2OCH2 
!
 C3H3      pC3H4     aC3H4     cC3H4     aC3H5     CH3CCH2   CH3CHCH
 C3H6      nC3H7     iC3H7     C3H8
 CH2CHCO   C2H3CHO   CH3CHOCH2 CH3CH2CHO CH3COCH3
!
 C4H2      nC4H3     iC4H3     C4H4      nC4H5     iC4H5    C4H5-2    c-C4H5
 C4H6      C4H612    C4H6-2    C4H7      iC4H7     C4H81     C4H82    iC4H8     
 pC4H9     sC4H9     iC4H9     tC4H9     C4H10     iC4H10
!
 H2C4O     C4H4O     CH2CHCHCHO          CH3CHCHCO           C2H3CHOCH2
 C4H6O23   CH3CHCHCHO                    C4H6O25
!
 C5H4O     C5H5O(1,3)  C5H5O(2,4) C5H4OH   C5H5OH   C5H5      C5H6
 lC5H7     cC5H9       cC5H8
!
 C6H2      C6H3      l-C6H4    o-C6H4    C6H5     C6H6      
!
 C6H5CH2   C6H5CH3   C6H5C2H   C6H5O     C6H5OH    C6H4O2  
 C6H5CO    C6H5CHO   C6H5CH2OH OC6H4CH3  HOC6H4CH3        
 C6H4CH3
!
 NC12H26      PXC12H25     SXC12H25   C12H24    PXC12H23  
 NC11H24      PXC11H23     SXC11H23   C11H22    PXC11H21 
 NC10H22      PXC10H21     SXC10H21   C10H20    PXC10H19 
 NC9H20       PXC9H19      SXC9H19    C9H18     PXC9H17  
 NC8H18       PXC8H17      SXC8H17    C8H16     PXC8H15  
 NC7H16       PXC7H15      SXC7H15    C7H14     PXC7H13  
 NC6H14       PXC6H13      SXC6H13    C6H12     PXC6H11  
 SXC6H11      S2XC6H11     SAXC6H11   cC6H11    cC6H10   SAXC6H11-3 cC5H9CH2
 CH2C5H8      m1C5H81      CH3cC5H83  C6H10-13
 NC5H12       PXC5H11      SXC5H11    C5H10     PXC5H9   SXC5H9     SAXC5H9
 CH2C4H7      C5H8-13      C5H8-14    
 S2XC12H25    S3XC12H25    S4XC12H25  S5XC12H25 
 S2XC11H23    S3XC11H23    S4XC11H23  S5XC11H23 
 S2XC10H21    S3XC10H21    S4XC10H21  
 S2XC9H19     S3XC9H19     S4XC9H19
 S2XC8H17     S3XC8H17
 S2XC7H15     S3XC7H15
 S2XC6H13
 S2XC5H11
 PC12H25O2    P12OOHX2     SOO12OOH   OC12OOH     
!
!CH2         - triplet methylene
!CH2*        - singlet methylene
!H2CC        - vinylidene
!aC3H5       - allyl
!CH3CCH2     - CH3-*C=CH2
!CH3CHCH     - CH3-CH=CH*
!nC3H7       - CH3-CH2-CH2*
!iC3H7       - CH3-*CH-CH3
!CH2OCH      - CH2OCH* radical of ethylene oxide
!nC4H3       - *CH=CH-CCH
!iC4H3       - CH2C*-CCH
!nC4H5       - *CH=CH-CH=CH2
!iC4H5       - CH2=C*-CH=CH2
!iC4H7       - 2-methylpropen-3-yl       H2C=C(CH3)(CH2)   
!C4H10       - n-butane                  CH3CH2CH2CH3
!iC4H10      - i-butane                  CH(CH3)3
!pC4H9       - 1-butyl                   CH3CH2CH2CH2
!sC4H9       - 2-butyl                   CH3CH2CHCH3
!tC4H9       - t-butyl                   C(CH3)3
!iC4H9       - i-butyl                   CH2CH(CH3)2
!C4H81       - 1-butene                  CH3CH2CHCH2
!C4H82       - 2-butene                  CH3CHCHCH3
!iC4H8       - i-butene                  H2C=C(CH3)2    
!C4H5-2      - CH3-CC-*CH2
!C4H7        - *CH2-CH2-CH=CH2
!CH2CHCO     - CH2=CH-*CO
!C5H5        - cyclopentadienyl
!CH2CHCHCHO  - *CH2-CH=CH-CHO		
!CH3CHCHCO   - CH3-CH=CH-*CO
!C6H3        - *CH=CH-CC-CCH
!C6H5        - phenyl
!C5H5O       - cyclopentadienyloxy radical
!C5H4OH      - cyclopentadienolyl radical
!C6H5CH2     - benzyl
!C6H5O       - phenoxy radical
!CH2OCH2     - ethylene oxide
!C4H6        - 1,3-butadiene
!C4H612      - 1,2-butadiene
!C4H6-2      - 2-butyne
!C4H81       - 1-butene  
!C2H3CHO     - acrolein
!CH3CHOCH2   - propylene oxide
!CH3COCH3    - acetone
!C5H6        - cyclopentadiene
!H2C4O       - CH2=C=C=C=O
!C4H4O       - furan
!C2H3CHOCH2  - ethenyloxirane
!C4H6O23     - 2,3-dihydrofuran
!CH3CHCHCHO  - crotonaldehyde
!C4H6O25     - 2,5-dihydrofuran
!l-C6H4      - CH2=CH-CC-CCH
!o-C6H4      - benzyne
!C6H6        - benzene
!C5H4O       - 2,4-cyclopentadiene, 1-one
!C6H5CH3     - toluene
!C6H5OH      - phenol
!C6H5C2H     - phenylacetylene
!C6H5C2H3    - styrene
!C10H8       - naphthalene 
!C5H5CH3     - methylcyclopentadiene
!C5H4CH2     - fulvene
!NC12H26     - n-dodecane
!PXC12H25    - 1-dodecyl
!SXC12H25    - 2-dodecyl
!S2XC12H25   - 3-dodecyl
!S3XC12H25   - 4-dodecyl
!S4XC12H25   - 5-dodecyl
!S5XC12H25   - 6-dodecyl
!C12H24      - 1-dodecene
!PXC12H23    - 1-dodecen-12-yl
!NC11H24     - n-undecane
!PXC11H23    - 1-undecyl
!SXC11H23    - 2-undecyl
!S2XC11H23   - 3-undecyl
!S3XC11H23   - 4-undecyl
!S4XC11H23   - 5-undecyl
!S5XC11H23   - 6-undecyl
!C11H22      - 1-undecene
!PXC11H21    - 1-undecen-11-yl
!NC10H22     - n-decane
!PXC10H21    - 1-decyl
!SXC10H21    - 2-decyl
!S2XC10H21   - 3-decyl
!S3XC10H21   - 4-decyl
!S4XC10H21   - 5-decyl
!C10H20      - 1-decene
!PXC10H19    - 1-decen-10-yl
!NC9H20      - n-nonane
!PXC9H19     - 1-nonyl
!SXC9H19     - 2-nonyl
!S2XC9H19    - 3-nonyl
!S3XC9H19    - 4-nonyl
!S4XC9H19    - 5-nonyl
!C9H18       - 1-nonene
!PXC9H17     - 1-nonen-9-yl
!NC8H18      - n-octane
!PXC8H17     - 1-octyl
!SXC8H17     - 2-octyl
!S2XC8H17    - 3-octyl
!S3XC8H17    - 4-octyl
!C8H16       - 1-octene
!PXC8H15     - 1-octen-8-yl
!NC7H16      - n-heptane
!PXC7H15     - 1-heptyl
!SXC7H15     - 2-heptyl
!S2XC7H15    - 3-heptyl
!S3XC7H15    - 4-heptyl
!C7H14       - 1-heptene
!PXC7H13     - 1-hepten-7-yl
!NC6H14      - n-hexane
!PXC6H13     - 1-hexyl
!SXC6H13     - 2-hexyl
!S2XC6H13    - 3-hexyl
!C6H12       - 1-hexene
!PXC6H11     - 1-hexen-6-yl
!SXC6H11     - 1-hexen-5-yl
!S2XC6H11    - 1-hexen-4-yl
!SAXC6H11    - 1-hexen-3-yl
!SAXC6H11-3  - 4-hexen-3-yl
!cC6H11      - cyclohexyl
!cC6H10      - cyclohexene
!C6H10-13    - 1,3-hexadiene
!cC5H9CH2    - cyclopentylcarbinyl
!CH2C5H8     - methylenecyclopentane
!m1C5H81    - ch2=ch-ch2-ch(-ch2*)-ch3
!CH3cC5H83   - 1-methyl-cyclopent-3-yl
!NC5H12      - n-pentane
!PXC5H11     - 1-pentyl
!SXC5H11     - 2-pentyl
!S2XC5H11    - 3-pentyl
!C5H10       - 1-pentene
!PXC5H9      - 1-penten-5-yl
!SXC5H9      - 1-penten-4-yl
!SAXC5H9     - 1-penten-3-yl
!C5H8-13     - 1,3-pentadiene
!C5H8-14     - 1,4-pentadiene
!cC5H9       - cyclopentyl
!cC5H8       - cyclopentene
!CH2C4H7    - ch3-ch(-ch2*)-ch=ch2
!PC12H25O2   - nC12peroxy radicals  C12H25O2
!P12OOHX2    - nC12hydroperoxyalkyl radicals  C12H25O2
!SOO12OOH    - nC12hydroperoxyalkylperoxy radicals  C12H25O4   
!OC12OOH     - nC12ketohydroperoxydes C12H24O3
REACTIONS
! ---- Optimized H2/O2 mechanism ----
 H+O2 = O+OH                                  2.644E+16  -0.6707 17041.00 !GRI3.0 * 1.00
 O+H2 = H+OH                                  4.589E+04   2.700   6260.00 !GRI3.0 * 1.19
 OH+H2 = H+H2O                                1.734E+08   1.510   3430.00 !GRI3.0 * 0.80
 OH+OH = O+H2O                                3.973E+04   2.400  -2110.00 !GRI3.0 * 1.11
 H+H+M = H2+M                                 1.780E+18  -1.000      0.00 !GRI3.0 * 1.78
                                         H2/0.0/ H2O/0.0/ CO2/0.0/ AR/0.63/ 
                                                                  !HE/0.63/
 H+H+H2 = H2+H2                               9.000E+16  -0.600      0.00 !GRI3.0
 H+H+H2O = H2+H2O                             5.624E+19  -1.250      0.00 !GRI3.0 * 0.94
 H+H+CO2 = H2+CO2                             5.500E+20  -2.000      0.00 !GRI3.0
 H+OH+M = H2O+M                               4.400E+22  -2.000      0.00 !GRI3.0 * 2.00
                               H2/2.0/ H2O/6.30/ CO/1.75/ CO2/3.6/  AR/0.38/ 
                                                                   !HE/0.38/
 O+H+M = OH+M                                 9.428E+18  -1.000      0.00  !86TSA/HAM * 2.00
                                H2/2.0/ H2O/12.0/ CO/1.75/ CO2/3.6/  AR/0.7/ 
!                                                                    HE/0.7/
 O+O+M = O2+M                                 1.200E+17  -1.000      0.00 !GRI3.0
                              H2/2.4/ H2O/15.4/  CO/1.75/ CO2/3.6/  AR/0.83/ 
!                                                                   HE/0.83/
 H+O2(+M) = HO2(+M)                           5.116E+12   0.440     0.00 !00 TROE - Based on M=N2 * 1.10
                                        LOW / 6.328E+19  -1.400     0.00 /
                                        TROE/ 0.5  1E-30  1E+30            /
                            O2/0.85/  H2O/11.89/ CO/1.09/ CO2/2.18/ AR/0.40/ 
!                                                                   HE/0.46/ 
 H2+O2 = HO2+H                                5.916E+05   2.433  53502.00 !00MIC/SUT * 0.80
 OH+OH(+M) = H2O2(+M)                         1.110E+14  -0.370      0.00 !88ZEL/EWI * 1.50
                                      LOW  /  2.010E+17  -0.584  -2293.00 /!Fit 88ZEL/EWI and 92BAU/COB
                                      TROE / 0.7346   94.  1756.00  5182.0 /!H2O=6xN2 88ZEL/EWI
                                 H2/2.0/ H2O/6.00/ CO/1.75/ CO2/3.6/ AR/0.7/ 
!                                                                    HE/0.7/
!
!
! Reactions of HO2
!
 HO2+H = O+H2O                                3.970E+12    0.000   671.00 !GRI3.0
 HO2+H = OH+OH                                7.485E+13    0.000   295.00 !99MUE/KIM * 1.06
 HO2+O = OH+O2                                4.000E+13    0.000     0.00 !GRI3.0 * 2.00
 HO2+HO2 = O2+H2O2                            1.300E+11    0.000 -1630.00 !90HIP/TRO
  DUPLICATE
 HO2+HO2 = O2+H2O2                            3.658E+14    0.000 12000.00 !90HIP/TRO * 0.87
  DUPLICATE
 OH+HO2=H2O+O2                                1.41E+18    -1.760    60.0 ! Wang07 
  Duplicate
 OH+HO2=H2O+O2                                1.12E+85   -22.300 26900.0 ! Wang07
  Duplicate
 OH+HO2=H2O+O2                                5.37E+70   -16.720 32900.0 ! Wang07
  Duplicate
 OH+HO2=H2O+O2                                2.51E+12     2.000 40000.0 ! Wang07
  Duplicate
 OH+HO2=H2O+O2                                1.00E+136   -40.00 34800.0 ! Wang07
  Duplicate
! 
! Reactions of H2O2
!   
 H2O2+H = HO2+H2                              6.050E+06    2.000   5200.00 !GRI3.0 * 0.50
 H2O2+H = OH+H2O                              2.410E+13    0.000   3970.00 !86TSA/HAM
 H2O2+O = OH+HO2                              9.630E+06    2.000   3970.00 !86TSA/HAM
 H2O2+OH = HO2+H2O                            2.000E+12    0.000    427.00 !95HIP/NEU
  DUPLICATE
 H2O2+OH = HO2+H2O                            2.670E+41   -7.000  37600.00 !Refit95HIP/NEU
  DUPLICATE                                                !2.2E14 MAX K
! 
! Reactions of CO/CO2
!
 CO+O(+M)=CO2(+M)                             1.362E+10    0.000   2384.00 !99MUE/KIM * 0.76
                                        LOW / 1.173E+24   -2.79    4191.   / 
                                   H2/2.0/ H2O/12/ CO/1.75/ CO2/3.6/ AR/0.7/ 
!                                                                    HE/0.7/   
 CO+OH = CO2+H                                7.046E+04    2.053  -355.67  !06JOS/WANG
   DUPLICATE
 CO+OH = CO2+H                                5.757E+12   -0.664   331.83  !06JOS/WANG
   DUPLICATE
 CO+O2 = CO2+O                                1.119E+12    0.000  47700.00 !86TSA/HAM * 0.44
 CO+HO2 = CO2+OH                              1.570E+05    2.180  17942.61 !07YOU/WANG
! 
! Reactions of HCO
!
 HCO+H = CO+H2                                1.200E+14    0.000      0.00 !02FRI/DAV * 1.00
 HCO+O = CO+OH                                3.000E+13    0.000      0.00 !GRI3.0
 HCO+O = CO2+H                                3.000E+13    0.000      0.00 !GRI3.0
 HCO+OH = CO+H2O                              3.020E+13    0.000      0.00 !86TSA/HAM
 HCO+M = CO+H+M                               1.870E+17   -1.000  17000.00 !02FRI/DAV * 2.00
                                              H2/2.0/ H2O/0.0/ CO/1.75/ CO2/3.6/
 HCO+H2O = CO+H+H2O                           2.244E+18   -1.000  17000.00 !12xM * 2.00
 HCO+O2 = CO+HO2                              1.204E+10    0.807   -727.00 !96HSU/MEB
! ---- End of Optimized H2/O2 mechanism ----
!
!
! Reactions of CO/CO2 (See the H2/CO model above for additional reactions)
!
CO+H2(+M) = CH2O(+M)                          4.300E+07    1.500  79600.00  !GRI
                                      LOW  /  5.070E+27   -3.420  84350.00  /
                                      TROE/  0.9320  197.00  1540.00 10300. /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
!
! Reactions of C
!
 C+OH = CO+H                                  5.000E+13    0.000      0.00  !GRI
 C+O2 = CO+O                                  5.800E+13    0.000    576.00  !GRI
!
! Reactions of CH
!
 CH+H = C+H2                                  1.100E+14    0.000      0.00  !GRI
 CH+O = CO+H                                  5.700E+13    0.000      0.00  !GRI
 CH+OH = HCO+H                                3.000E+13    0.000      0.00  !GRI
 CH+H2 = CH2+H                                1.107E+08    1.790   1670.00  !GRI
 CH+H2O = CH2O+H                              5.710E+12    0.000   -755.00  !GRI
 CH+O2 = HCO+O                                3.300E+13    0.000      0.00  !GRI
 CH+CO(+M) = HCCO(+M)                         5.000E+13    0.000      0.00  !GRI
                                      LOW  /  2.690E+28   -3.740   1936.00  /
                                      TROE/  0.5757  237.00  1652.0  5069.0 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH+CO2 = HCO+CO                              3.400E+12    0.000    690.00  !GRI
!
! Reactions of HCO (See the H2/CO model above for additional reactions)
!
 HCO+H(+M) = CH2O(+M)                         1.090E+12    0.480   -260.00  !GRI
                                      LOW  /  1.350E+24   -2.570   1425.00  /
                                      TROE/  0.7824  271.0  2755.00  6570.0 /
                H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7 /
!
! Reactions of CH2(triplet)
!
 CH2+H(+M) = CH3(+M)                          2.500E+16   -0.800      0.00  !GRI
                                      LOW  /  3.200E+27   -3.140   1230.00  /
                                      TROE/  0.6800   78.00  1995.0  5590.0 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH2+O = HCO+H                                8.000E+13    0.000      0.00  !GRI
 CH2+OH = CH2O+H                              2.000E+13    0.000      0.00  !GRI
 CH2+OH = CH+H2O                              1.130E+07    2.000   3000.00  !GRI
 CH2+H2 = H+CH3                               5.000E+05    2.000   7230.00  !GRI
 CH2+O2 = HCO+OH                              1.060E+13    0.000   1500.00  !GRI##
 CH2+O2 = CO2+H+H                             2.640E+12    0.000   1500.00  !GRI##
 CH2+HO2 = CH2O+OH                            2.000E+13    0.000      0.00  !GRI
 CH2+C = C2H+H                                5.000E+13    0.000      0.00  !GRI
 CH2+CO(+M) = CH2CO(+M)                       8.100E+11    0.500   4510.00  !GRI
                                      LOW  /  2.690E+33   -5.110   7095.00  /
                                      TROE/ 0.5907  275.0  1226.00  5185.00 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH2+CH = C2H2+H                              4.000E+13    0.000      0.00  !GRI  
 CH2+CH2 = C2H2+H2                            3.200E+13    0.000      0.00  !GRI
!
! Reactions of CH2(singlet)
!
 CH2*+N2 = CH2+N2                             1.500E+13    0.000    600.00  !GRI
 CH2*+AR = CH2+AR                             9.000E+12    0.000    600.00  !GRI
 CH2*+H = CH+H2                               3.000E+13    0.000      0.00  !GRI
 CH2*+O = CO+H2                               1.500E+13    0.000      0.00  !GRI
 CH2*+O = HCO+H                               1.500E+13    0.000      0.00  !GRI
 CH2*+OH = CH2O+H                             3.000E+13    0.000      0.00  !GRI
 CH2*+H2 = CH3+H                              7.000E+13    0.000      0.00  !GRI
 CH2*+O2 = H+OH+CO                            2.800E+13    0.000      0.00  !GRI
 CH2*+O2 = CO+H2O                             1.200E+13    0.000      0.00  !GRI
 CH2*+H2O(+M) = CH3OH(+M)                     2.000E+13    0.000      0.00  !GRI
                                      LOW  /  2.700E+38   -6.300   3100.00  /
                                      TROE/  0.1507  134.00  2383.0  7265.0 /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2*+H2O = CH2+H2O                           3.000E+13    0.000      0.00  !GRI
 CH2*+CO = CH2+CO                             9.000E+12    0.000      0.00  !GRI
 CH2*+CO2 = CH2+CO2                           7.000E+12    0.000      0.00  !GRI
 CH2*+CO2 = CH2O+CO                           1.400E+13    0.000      0.00  !GRI
!
! Reactions of CH2O
!
 CH2O+H(+M) = CH2OH(+M)                       5.400E+11    0.454   3600.00  !GRI
                                     LOW  /   1.270E+32   -4.820   6530.00  /
                                     TROE/  0.7187  103.00  1291.00  4160.0 /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2O+H(+M) = CH3O(+M)                        5.400E+11    0.454   2600.00  !GRI
                                      LOW  /  2.200E+30   -4.800   5560.00  /
                                      TROE/  0.7580   94.00  1555.0 4200.00 /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2O+H = HCO+H2                              2.300E+10    1.050   3275.00  !GRI
 CH2O+O = HCO+OH                              3.900E+13    0.000   3540.00  !GRI
 CH2O+OH = HCO+H2O                            3.430E+09    1.180   -447.00  !GRI
 CH2O+O2 = HCO+HO2                            1.000E+14    0.000  40000.00  !GRI
 CH2O+HO2 = HCO+H2O2                          1.000E+12    0.000   8000.00  !GRI
 CH2O+CH = CH2CO+H                            9.460E+13    0.000   -515.00  !GRI
!
! Reactions of CH3
!
 CH3+H(+M) = CH4(+M)                          1.270E+16   -0.630    383.00  !GRI
                                     LOW  /   2.477E+33   -4.760   2440.00  /
                                     TROE/  0.7830   74.00  2941.00  6964.0 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH3+O = CH2O+H                               8.430E+13    0.000      0.00  !GRI
 CH3+OH(+M) = CH3OH(+M)                       6.300E+13    0.000      0.00  !GRI
                                      LOW  /  2.700E+38   -6.300   3100.00  /
                                      TROE/  0.2105   83.5 5398.00  8370.0  /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH3+OH = CH2+H2O                             5.600E+07    1.600   5420.00  !GRI
 CH3+OH = CH2*+H2O                            2.501E+13    0.000      0.00  !GRI
 CH3+O2 = O+CH3O                              3.083E+13    0.000  28800.00  !GRI
 CH3+O2 = OH+CH2O                             3.600E+10    0.000   8940.00  !GRI 
 CH3+HO2 = CH4+O2                             1.000E+12    0.000      0.00  !GRI
 CH3+HO2 = CH3O+OH                            1.340E+13    0.000      0.00  !GRI
 CH3+H2O2 = CH4+HO2                           2.450E+04    2.470   5180.00  !GRI
 CH3+C = C2H2+H                               5.000E+13    0.000      0.00  !GRI
 CH3+CH = C2H3+H                              3.000E+13    0.000      0.00  !GRI
 CH3+HCO = CH4+CO                             8.480E+12    0.000      0.00  !GRI
 CH3+CH2O = CH4+HCO                           3.320E+03    2.810   5860.00  !GRI
 CH3+CH2 = C2H4+H                             4.000E+13    0.000      0.00  !GRI
 CH3+CH2* = C2H4+H                            1.200E+13    0.000   -570.00  !GRI
 CH3+CH3(+M) = C2H6(+M)                       2.120E+16   -0.970    620.00  !GRI
                                      LOW  /  1.770E+50   -9.670   6220.00  /
                                      TROE/  0.5325  151.0  1038.00  4970.0 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH3+CH3 = H+C2H5                             4.990E+12    0.100  10600.00  !GRI
 CH3+HCCO = C2H4+CO                           5.00E+13     0.0        0.0   !Estimated
 CH3+C2H = C3H3+H                             2.41E+13     0.0        0.0   !86TSA/HAM
!
! Reactions of CH3O
!
 CH3O+H(+M) = CH3OH(+M)                       5.000E+13    0.000      0.00  !GRI
                                      LOW  /  8.600E+28   -4.000   3025.00  /
                                      TROE/  0.8902  144.0  2838.00 45569.0 /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH3O+H = CH2OH+H                             3.400E+06    1.600      0.00  !GRI
 CH3O+H = CH2O+H2                             2.000E+13    0.000      0.00  !GRI
 CH3O+H = CH3+OH                              3.200E+13    0.000      0.00  !GRI
 CH3O+H = CH2*+H2O                            1.600E+13    0.000      0.00  !GRI
 CH3O+O = CH2O+OH                             1.000E+13    0.000      0.00  !GRI
 CH3O+OH = CH2O+H2O                           5.000E+12    0.000      0.00  !GRI
 CH3O+O2 = CH2O+HO2                           4.280E-13    7.600  -3530.00  !GRI
!
! Reactions of CH2OH
!
 CH2OH+H(+M) = CH3OH(+M)                      1.800E+13    0.000     0.00   !GRI
                                      LOW  /  3.000E+31   -4.800  3300.00   /
                                      TROE/  0.7679  338.00  1812.0 5081.0  /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2OH+H = CH2O+H2                            2.000E+13    0.000     0.00   !GRI
 CH2OH+H = CH3+OH                             1.200E+13    0.000     0.00   !GRI
 CH2OH+H = CH2*+H2O                           6.000E+12    0.000     0.00   !GRI
 CH2OH+O = CH2O+OH                            1.000E+13    0.000     0.00   !GRI
 CH2OH+OH = CH2O+H2O                          5.000E+12    0.000     0.00   !GRI
 CH2OH+O2 = CH2O+HO2                          1.800E+13    0.000   900.00   !GRI
!
! Reactions of CH4
!
 CH4+H = CH3+H2                               6.600E+08    1.620 10840.00   !GRI
 CH4+O = CH3+OH                               1.020E+09    1.500  8600.00   !GRI
 CH4+OH = CH3+H2O                             1.000E+08    1.600  3120.00   !GRI
 CH4+CH = C2H4+H                              6.000E+13    0.000     0.00   !GRI
 CH4+CH2 = CH3+CH3                            2.460E+06    2.000  8270.00   !GRI
 CH4+CH2* = CH3+CH3                           1.600E+13    0.000  -570.00   !GRI
 CH4+C2H = C2H2+CH3                           1.810E+12    0.0     500.0    !86TSA/HAM
!
! Reactions of CH3OH
!
 CH3OH+H = CH2OH+H2                           1.700E+07    2.100  4870.00   !GRI
 CH3OH+H = CH3O+H2                            4.200E+06    2.100  4870.00   !GRI
 CH3OH+O = CH2OH+OH                           3.880E+05    2.500  3100.00   !GRI
 CH3OH+O = CH3O+OH                            1.300E+05    2.500  5000.00   !GRI
 CH3OH+OH = CH2OH+H2O                         1.440E+06    2.000  -840.00   !GRI
 CH3OH+OH = CH3O+H2O                          6.300E+06    2.000  1500.00   !GRI
 CH3OH+CH3 = CH2OH+CH4                        3.000E+07    1.500  9940.00   !GRI
 CH3OH+CH3 = CH3O+CH4                         1.000E+07    1.500  9940.00   !GRI
!
! Reactions of C2H
!
 C2H+H(+M) = C2H2(+M)                         1.000E+17   -1.000     0.00   !GRI
                                      LOW  /  3.750E+33   -4.800  1900.00   /
                                      TROE/  0.6464  132.00  1315.00 5566.0 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C2H+O = CH+CO                                5.000E+13    0.000     0.00   !GRI
 C2H+OH = H+HCCO                              2.000E+13    0.000     0.00   !GRI
 C2H+O2 = HCO+CO                              5.000E+13    0.000  1500.00   !GRI
 C2H+H2 = H+C2H2                              4.900E+05    2.500   560.00   !GRI
!
! Reactions of C2O
!
 C2O+H = CH+CO                                5.000E+13    0.000     0.00   !92MIL/MEL
 C2O+O = CO+CO                                5.000E+13    0.000     0.00   !92MIL/MEL 
 C2O+OH = CO+CO+H                             2.000E+13    0.000     0.00   !92MIL/MEL
 C2O+O2 = CO+CO+O                             2.000E+13    0.000     0.00   !92MIL/MEL
!
! Reactions of HCCO
!
 HCCO+H = CH2*+CO                             1.000E+14    0.000     0.00   !GRI
 HCCO+O = H+CO+CO                             1.000E+14    0.000     0.00   !GRI
 HCCO+O2 = OH+2CO                             1.600E+12    0.000   854.00   !GRI
 HCCO+CH = C2H2+CO                            5.000E+13    0.000     0.00   !GRI
 HCCO+CH2 = C2H3+CO                           3.000E+13    0.000     0.00   !GRI
 HCCO+HCCO = C2H2+CO+CO                       1.000E+13    0.000     0.00   !GRI
 HCCO+OH = C2O+H2O                            3.000E+13    0.000     0.00   !92MIL/MEL
!
! Reactions of C2H2
!
 C2H2 (+M) = H2CC (+M)                        8.000E+14   -0.520  50750.00  !99LAS/WAN
                                      LOW /   2.450E+15   -0.640  49700.00  /
      H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/C2H2/2.5/ C2H4/2.5/ 
 C2H3 (+M) = C2H2+H (+M)                      3.860E+08    1.620  37048.2   !96KNY/SLA
                                      LOW  /  2.565E+27   -3.400  35798.72  /
                                      TROE/  1.9816  5383.7  4.2932 -0.0795 /
      H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ C2H2/3.00/ 
                                                                   C2H4/3.00/
 C2H2+O = C2H+OH                              4.600E+19   -1.410  28950.00  !GRI
 C2H2+O = CH2+CO                              4.080E+06    2.000   1900.00  !GRI (0.2 branching ratio)
 C2H2+O = HCCO + H                            1.632E+07    2.000   1900.00  !GRI (0.8 branching ratio)
 C2H2+OH = CH2CO+H                            2.180E-04    4.500  -1000.00  !GRI
 C2H2+OH = HCCOH+H                            5.040E+05    2.300  13500.00  !GRI
 C2H2+OH = C2H+H2O                            3.370E+07    2.000  14000.00  !GRI
 C2H2+OH = CH3+CO                             4.830E-04    4.000  -2000.00  !GRI
 C2H2+HCO = C2H3+CO                           1.000E+07    2.000   6000.00  !Estimated
 C2H2+CH2 = C3H3+H                            1.200E+13    0.000   6620.00  !88BOH/TEM; 86FRA/BHA
 C2H2+CH2* = C3H3+H                           2.000E+13    0.000      0.00  !97WAN/FRE
 C2H2+C2H = C4H2+H                            9.600E+13    0.000      0.00  !91SHI/MIC, 92KOS/FUK, 93FAR/MOR
 C2H2+C2H (+M) = nC4H3 (+M)                   8.300E+10    0.899   -363.00  !92WAN
                                       LOW   /1.240E+31   -4.718   1871.00  /
                                       TROE  /1.0 100. 5613. 13387.         /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ 
                                                          C2H2/2.5/ C2H4/2.5/  
 C2H2+C2H (+M) = iC4H3 (+M)                   8.300E+10    0.899    -363.00 !92WAN
                                       LOW   /1.240E+31   -4.718    1871.00 /
                                       TROE   /1.0 100. 5613. 13387.        /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ 
                                                          C2H2/2.5/ C2H4/2.5/ 
 C2H2+HCCO = C3H3+CO                          1.00E+11     0.000    3000.00 !89MIL/BOW; 83HOM/WEL
!
!C2H2+CH3 = pC3H4+H                           4.50E+06     1.86    11600.0  !99DAV/LAW RRKM 0.1 atm 
 C2H2+CH3 = pC3H4+H                           2.56E+09     1.10    13644.0  !99DAV/LAW RRKM 1 atm 
!C2H2+CH3 = pC3H4+H                           2.07E+10     0.85    14415.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = pC3H4+H                           2.51E+11     0.56    15453.0  !99DAV/LAW RRKM 5 atm
!C2H2+CH3 = pC3H4+H                           1.10E+12     0.39    16200.0  !99DAV/LAW RRKM 10 atm
!C2H2+CH3 = pC3H4+H                           2.10E+12     0.37    18100.0  !99DAV/LAW RRKM 100 atm
!
!C2H2+CH3 = aC3H4+H                           2.40E+09     0.91    20700.0  !99DAV/LAW RRKM 0.1 atm
 C2H2+CH3 = aC3H4+H                           5.14E+09     0.86    22153.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = aC3H4+H                           1.33E+10     0.75    22811.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = aC3H4+H                           9.20E+10     0.54    23950.0  !99DAV/LAW RRKM 5 atm
!C2H2+CH3 = aC3H4+H                           5.10E+11     0.35    25000.0  !99DAV/LAW RRKM 10 atm
!C2H2+CH3 = aC3H4+H                           7.30E+12     0.11    28500.0  !99DAV/LAW RRKM 100 atm
!
!C2H2+CH3 = CH3CCH2                           6.80E+20    -4.16    18000.0  !99DAV/LAW RRKM 0.1 atm
 C2H2+CH3 = CH3CCH2                           4.99E+22    -4.39    18850.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = CH3CCH2                           6.00E+23    -4.60    19571.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = CH3CCH2                           7.31E+25    -5.06    21150.0  !99DAV/LAW RRKM 5 atm
!C2H2+CH3 = CH3CCH2                           9.30E+27    -5.55    22900.0  !99DAV/LAW RRKM 10 atm
!C2H2+CH3 = CH3CCH2                           3.80E+36    -7.58    31300.0  !99DAV/LAW RRKM 100 atm
!
!C2H2+CH3 = CH3CHCH                           1.40E+32    -7.14    10000.0  !99DAV/LAW RRKM 0.1 atm
 C2H2+CH3 = CH3CHCH                           3.20E+35    -7.76    13300.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = CH3CHCH                           2.40E+38    -8.21    17100.0  !99DAV/LAW RRKM 10 atm
!C2H2+CH3 = CH3CHCH                           1.40E+39    -8.06    20200.0  !99DAV/LAW RRKM 100 atm
!
!C2H2+CH3 = aC3H5                             8.20E+53    -13.32   33200.0  !99DAV/LAW RRKM 0.1 atm
 C2H2+CH3 = aC3H5                             2.68E+53    -12.82   35730.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = aC3H5                             3.64E+52    -12.46   36127.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = aC3H5                             1.04E+51    -11.89   36476.0  !99DAV/LAW RRKM 5 atm
!C2H2+CH3 = aC3H5                             4.40E+49    -11.40   36700.0  !99DAV/LAW RRKM 10 atm
!C2H2+CH3 = aC3H5                             3.80E+44     -9.63   37600.0  !99DAV/LAW RRKM 100 atm
!
! Reactions of Vinylidene
!
 H2CC+H = C2H2+H                              1.000E+14    0.000       0.00 !Estimated
 H2CC+OH = CH2CO+H                            2.000E+13    0.000       0.00 !Estimated
 H2CC+O2 = HCO+HCO                            1.000E+13    0.000       0.00 !99LAS/WAN
 H2CC+C2H2 (+M) = C4H4 (+M)                   3.500E+05    2.055   -2400.00 !99LAS/WAN
                                         LOW /1.400E+60  -12.599    7417.00 /
                                         TROE /0.980 56.0 580.0 4164.0      /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/  
                                                        C2H2/3.00/ C2H4/3.00/
 H2CC+C2H4 = C4H6                             1.00E+12     0.0         0.0  !Estimated
!
! Reactions of CH2CO/HCCOH
!
 CH2CO+H (+M) = CH2CHO (+M)                   3.300E+14   -0.060    8500.00 !calculated RRKM
                                     LOW     /3.800E+41   -7.640   11900.00 /
                                     TROE    /0.337 1707. 3200. 4131.       /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ C2H2/3.00/ C2H4/3.00/
 CH2CO+H = HCCO+H2                            5.000E+13    0.000    8000.00 !GRI
 CH2CO+H = CH3+CO                             1.500E+09    1.430    2690.00 !calculated RRKM    
 CH2CO+O = HCCO+OH                            1.000E+13    0.000    8000.00 !GRI
 CH2CO+O = CH2+CO2                            1.750E+12    0.000    1350.00 !GRI
 CH2CO+OH = HCCO+H2O                          7.500E+12    0.000    2000.00 !GRI
 HCCOH+H = CH2CO+H                            1.000E+13    0.000       0.00 !GRI
!
! Reactions of C2H3 
!
 C2H3+H(+M) = C2H4(+M)                        6.080E+12    0.270     280.00 !GRI1.2
                                      LOW  /  1.400E+30   -3.860    3320.00 /
                                     TROE/  0.7820  207.50  2663.00  6095.00/
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ 
                                                        C2H2/3.00/ C2H4/3.00/
 C2H3+H = C2H2+H2                             9.000E+13    0.000       0.00 !86TSA/HAM
 C2H3+H = H2CC+H2                             6.000E+13    0.000       0.00 !Estimated
 C2H3+O = CH2CO+H                             4.800E+13    0.000       0.00 !86TSA/HAM
 C2H3+O = CH3+CO                              4.800E+13    0.000       0.00 !86TSA/HAM
 C2H3+OH = C2H2+H2O                           3.011E+13    0.000       0.00 !86TSA/HAM
 C2H3+O2 = C2H2+HO2                           1.340E+06    1.610    -383.40 !96MEB/DIA
 C2H3+O2 = CH2CHO+O                           3.000E+11    0.290      11.00 !96MEB/DIA
 C2H3+O2 = HCO+CH2O                           4.600E+16   -1.390    1010.00 !96MEB/DIA
 C2H3+HO2 = CH2CHO+OH                         1.000E+13    0.000       0.00 !Estimated
 C2H3+H2O2 = C2H4+HO2                         1.210E+10    0.000    -596.00 !86TSA/HAM
 C2H3+HCO = C2H4+CO                           9.033E+13    0.000       0.00 !86TSA/HAM
 C2H3+HCO = C2H3CHO                           1.800E+13    0.00        0.0  !86TSA/HAM
 C2H3+CH3 = C2H2+CH4                          3.920E+11    0.000       0.00 !86TSA/HAM
 C2H3+CH3 (+M) = C3H6(+M)                     2.500E+13    0.000       0.00 !86TSA/HAM
                                       LOW  / 4.270E+58  -11.940    9769.80 /
                                       TROE / 0.175  1340.6 60000.0 10139.8 /
      H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/
 C2H3+CH3 = aC3H5+H                           1.500E+24   -2.830    18618.0 !86TSA/HAM 
!
!C2H3 + C2H2 = C4H4 + H                       7.20E+13     -0.48    6100.   !   10 Torr RRKM WAN/FRE
!C2H3 + C2H2 = C4H4 + H                       5.00E+14     -0.71    6700.   !   20 Torr RRKM WAN/FRE
!C2H3 + C2H2 = C4H4 + H                       4.60E+16     -1.25    8400.   !   90 Torr RRKM WAN/FRE
 C2H3 + C2H2 = C4H4 + H                       2.00E+18     -1.68   10600.   !  760 Torr RRKM WAN/FRE
!C2H3 + C2H2 = C4H4 + H                       4.90E+16     -1.13   11800.   ! 7600 Torr RRKM WAN/FRE
!
!C2H3 + C2H2 = nC4H5                          1.10E+31     -7.14    5600.   !   10 Torr RRKM WAN/FRE
!C2H3 + C2H2 = nC4H5                          1.10E+32     -7.33    6200.   !   20 Torr RRKM WAN/FRE
!C2H3 + C2H2 = nC4H5                          2.40E+31     -6.95    5600.   !   90 Torr RRKM WAN/FRE
 C2H3 + C2H2 = nC4H5                          9.30E+38     -8.76   12000.   !  760 Torr RRKM WAN/FRE
!C2H3 + C2H2 = nC4H5                          8.10E+37     -8.09   13400.   ! 7600 Torr RRKM WAN/FRE
!
!C2H3 + C2H2 = iC4H5                          5.00E+34     -8.42    7900.   !   10 Torr RRKM WAN/FRE
!C2H3 + C2H2 = iC4H5                          2.10E+36     -8.78    9100.   !   20 Torr RRKM WAN/FRE
!C2H3 + C2H2 = iC4H5                          1.00E+37     -8.77    9800.   !   90 Torr RRKM WAN/FRE
 C2H3 + C2H2 = iC4H5                          1.60E+46    -10.98   18600.   !  760 Torr RRKM WAN/FRE
!C2H3 + C2H2 = iC4H5                          5.10E+53    -12.64   28800.   ! 7600 Torr RRKM WAN/FRE
!
!C2H3 + C2H3 = C4H6                           7.00E+57    -13.82   17629.   ! RRKM 20 Torr  WAN/FRE
!C2H3 + C2H3 = C4H6                           1.50E+52    -11.97   16056.   ! RRKM 90 Torr  WAN/FRE
 C2H3 + C2H3 = C4H6                           1.50E+42     -8.84   12483.   ! RRKM 760 Torr WAN/FRE
!
!C2H3 + C2H3 = iC4H5 + H                      1.50E+30     -4.95   12958.   ! RRKM 20 Torr  WAN/FRE
!C2H3 + C2H3 = iC4H5 + H                      7.20E+28     -4.49   14273.   ! RRKM 90 Torr  WAN/FRE
 C2H3 + C2H3 = iC4H5 + H                      1.20E+22     -2.44   13654.   ! RRKM 760 Torr WAN/FRE
!
!C2H3 + C2H3 = nC4H5 + H                      1.10E+24     -3.28   12395.   ! RRKM 20 Torr  WAN/FRE
!C2H3 + C2H3 = nC4H5 + H                      4.60E+24     -3.38   14650.   ! RRKM 90 Torr  WAN/FRE
 C2H3 + C2H3 = nC4H5 + H                      2.40E+20     -2.04   15361.   ! RRKM 760 Torr WAN/FRE
!
 C2H3+C2H3 = C2H2+C2H4                        9.600E+11    0.00         0.  !NIST DB
!
! Reactions of CH2CHO
!
!CH2CHO = CH3+CO                              2.340E+43  -10.099   45600.00 !RRKM 0.026 atm
!CH2CHO = CH3+CO                              7.200E+42   -9.521   47000.00 !RRKM 0.5 atm
 CH2CHO = CH3+CO                              7.800E+41   -9.147   46900.00 !RRKM 1 atm
!CH2CHO = CH3+CO                              1.200E+37   -7.456   46100.00 !RRKM 10 atm
!
 CH2CHO+H (+M) = CH3CHO (+M)                  1.000E+14    0.000       0.00 !Calculated RRKM
                                     LOW     /5.200E+39   -7.297    4700.00 /  
                                     TROE    /0.55 8900. 4350. 7244.        /
             H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ C2H2/3.00/ C2H4/3.00/
 CH2CHO+H = CH3CO+H                           5.000E+12    0.000       0.00 !Estimated 
 CH2CHO+H = CH3+HCO                           9.000E+13    0.000       0.00 !Estimated
 CH2CHO+H = CH2CO+H2                          2.000E+13    0.000    4000.00 !82MIL/MIT
 CH2CHO+O = CH2CO+OH                          2.000E+13    0.000    4000.00 !82MIL/MIT
 CH2CHO+OH = CH2CO+H2O                        1.000E+13    0.000    2000.00 !82MIL/MIT
 CH2CHO+O2 = CH2CO+HO2                        1.400E+11    0.000       0.00 !92BAU/COB
 CH2CHO+O2 = CH2O+CO+OH                       1.800E+10    0.000       0.00 !92BAU/COB 
! 
! Reactions of CH3CO 
!
 CH3+CO (+M) = CH3CO (+M)                     4.850E+07    1.650    6150.00 !kinf, RRKM
                                     LOW     /7.800E+30   -5.395    8600.00 /         
                                     TROE    /0.258 598. 21002. 1773.       /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ C2H2/3.00/ C2H4/3.00/
 CH3CO+H (+M) = CH3CHO (+M)                   9.600E+13    0.000      0.00  !86TSA/HAM
                                     LOW     /3.850E+44   -8.569    5500.00 /  
                                     TROE    /1.0000 2900. 2900. 5132.      /
             H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ C2H2/3.00/ C2H4/3.00/
 CH3CO+H = CH3+HCO                            9.600E+13    0.000      0.00  !86TSA/HAM
 CH3CO+O = CH2CO+OH                           3.900E+13    0.000      0.00  !92BAU/COB
 CH3CO+O = CH3+CO2                            1.500E+14    0.000      0.00  !86TSA/HAM; 92BAU/COB
 CH3CO+OH = CH2CO+H2O                         1.200E+13    0.000      0.00  !86TSA/HAM
 CH3CO+OH = CH3+CO+OH                         3.000E+13    0.000      0.00  !86TSA/HAM
 CH3CO+HO2 = CH3+CO2+OH                       3.000E+13    0.000      0.00  !86TSA/HAM
 CH3CO+H2O2 = CH3CHO+HO2                      1.800E+11    0.000   8226.00  !86TSA/HAM
!
! Reactions of CH3CHO
!
 CH3 + HCO (+M) = CH3CHO (+M)                 1.800E+13    0.000       0.00 !  TS1, RRKM
                                      LOW  /  2.200E+48   -9.588    5100.00 /
                                      TROE /  0.6173 13.076 2078. 5093.     /
                         H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
                                                        C2H2/3.00/ C2H4/3.00/  
 CH3CHO+H = CH3CO+H2                          4.100E+09    1.160    2400.00 !92BAU/COB
 CH3CHO+H = CH4+HCO                           5.000E+10    0.0        00.00 !67LAM/CHR
 CH3CHO+O = CH3CO+OH                          5.800E+12    0.000    1800.00 !92BAU/COB
 CH3CHO+OH = CH3CO+H2O                        2.350E+10    0.730   -1110.00 !92BAU/COB
 CH3CHO+CH3 = CH3CO+CH4                       2.000E-06    5.600    2460.00 !92BAU/COB
 CH3CHO+HCO = CO+HCO+CH4                      8.000E+12    0.000   10400.00 !NIST DB 
 CH3CHO+O2 = CH3CO+HO2                        3.000E+13    0.000   39100.00 !92BAU/COB
!
! Reactions of CH2OCH2 (ethylene oxide)
!
 CH2OCH2 = CH3+HCO                            3.630E+13    0.000   57200.00 !83LIF/BEN
 CH2OCH2 = CH3CHO                             7.260E+13    0.000   57200.00 !83LIF/BEN
 CH2OCH2 = CH4+CO                             1.210E+13    0.000   57200.00 !83LIF/BEN
 CH2OCH2+H = CH2OCH+H2                        2.000E+13    0.000    8300.00 !83LIF/BEN
 CH2OCH2+H = C2H3+H2O                         5.000E+09    0.000    5000.00 !83LIF/BEN
 CH2OCH2+H = C2H4+OH                          9.510E+10    0.000    5000.00 !83LIF/BEN
 CH2OCH2+O = CH2OCH+OH                        1.910E+12    0.000    5250.00 !78BOG/HAN
 CH2OCH2+OH = CH2OCH+H2O                      1.780E+13    0.000    3610.00 !84BOL/KEE
 CH2OCH2+CH3 = CH2OCH+CH4                     1.070E+12    0.000   11830.00 !84BOL/KEE
!
! Reactions of CH2OCH 
!
 CH2OCH+M = CH3+CO+M                          3.160E+14    0.000   12000.00 !84BOL/KEE
 CH2OCH+M = CH2CHO+M                          5.000E+09    0.000       0.00 !96WUR/McG
 CH2OCH+M = CH2CO+H+M                         3.000E+13    0.000    8000.00 !83LIF/BEN
!
! Reactions of C2H4
!
 C2H4(+M) = H2+H2CC(+M)                       8.000E+12    0.440 88770.00   !GRI###
                                      LOW  /  7.000E+50   -9.310 99860.00   /
                                      TROE / 0.7345  180.0  1035.00  5417.0 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C2H4+H(+M) = C2H5(+M)                        1.367E+09    1.463   1355.00  !04-MIL-KLI
                                      LOW  /  2.027E+39   -6.642   5769.00  /
                                      TROE / -0.569  299.0  9147.0  -152.40 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C2H4+H = C2H3+H2                             5.070E+07    1.900  12950.00  !96KNY/BEN
 C2H4+O = C2H3+OH                             1.510E+07    1.900   3740.00  !87MAH/MAR
 C2H4+O = CH3+HCO                             1.920E+07    1.830    220.00  !87MAH/MAR
 C2H4+O = CH2+CH2O                            3.840E+05    1.830    220.00  !87MAH/MAR
 C2H4+OH = C2H3+H2O                           3.600E+06    2.000   2500.00  !88LIU/MUL1
 C2H4+HCO = C2H5+CO                           1.000E+07    2.000   8000.00  !Estimated
 C2H4+CH = aC3H4+H                            3.000E+13    0.000      0.00  !Estimated
 C2H4+CH = pC3H4+H                            3.000E+13    0.000      0.00  !Estimated
 C2H4+CH2 = aC3H5+H                           2.000E+13    0.000   6000.00  !Estimated
 C2H4+CH2* = H2CC+CH4                         5.000E+13    0.000      0.00  !Estimated
 C2H4+CH2* = aC3H5+H                          5.000E+13    0.000      0.00  !Estimated
 C2H4+CH3 = C2H3+CH4                          2.270E+05    2.000   9200.00  !GRI
 C2H4+CH3 = nC3H7                             3.300E+11    0.00    7700.0   !KP
 C2H4+C2H = C4H4+H                            1.200E+13    0.000      0.00  !86TSA/HAM
 C2H4+O2 = C2H3+HO2                           4.220E+13    0.000  60800.00  !86TSA/HAM
!
!C2H4+C2H3 = C4H7                             1.21E+05     2.33    3680.0   !97WAN/FRE RRKM kinf
!C2H4+C2H3 = C4H7                             1.23E+35    -7.76    9930.0   !97WAN/FRE RRKM 0.1 atm
 C2H4+C2H3 = C4H7                             7.93E+38    -8.47   14220.0   !97WAN/FRE RRKM 1 atm
!C2H4+C2H3 = C4H7                             2.99E+36    -7.40   15480.0   !97WAN/FRE RRKM 10 atm
!
 C2H4+HO2 = CH2OCH2+OH                        2.820E+12    0.000  17100.00  !92BAU/COB
!
! Reactions of C2H5
!
 C2H5+H(+M) = C2H6(+M)                        5.210E+17   -0.990  1580.00   !GRI
                                       LOW  / 1.990E+41   -7.080  6685.00   /
                                       TROE / 0.8422  125.0  2219.00 6882.0 /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C2H5+H = C2H4+H2                             2.000E+12    0.000     0.00   !GRI
 C2H5+O = CH3+CH2O                            1.604E+13    0.000     0.00   !86TSA/HAM
 C2H5+O = CH3CHO+H                            8.020E+13    0.000     0.00   !86TSA/HAM
 C2H5+O2 = C2H4+HO2                           2.000E+10    0.000     0.00   !90BOZ/DEA
 C2H5+HO2 = C2H6+O2                           3.000E+11    0.000     0.00   !86TSA/HAM
 C2H5+HO2 = C2H4+H2O2                         3.000E+11    0.000     0.00   !86TSA/HAM
 C2H5+HO2 = CH3+CH2O+OH                       2.400E+13    0.000     0.00   !86TSA/HAM
 C2H5+H2O2 = C2H6+HO2                         8.700E+09    0.000   974.00   !86TSA/HAM
 C2H5+CH3(+M) = C3H8(+M)                      4.90E+14  -0.50        0.0    !88TSA
                                       LOW  / 6.80E+61 -13.42     6000.0    /
                                       TROE / 1.000  1000.0  1433.9  5328.8 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C2H5+C2H3(+M) = C4H81(+M)                    1.50E+13   0.00        0.0    !86TSA/HAM 
                                       LOW  / 1.55E+56 -11.79     8984.5    /
                                       TROE / 0.198 2277.9 60000.0 5723.2   /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!C2H5+C2H3 = aC3H5+CH3                        8.00E+25  -3.46    11775.0    !86TSA/HAM RRKM 0.1 atm
 C2H5+C2H3 = aC3H5+CH3                        3.90E+32  -5.22    19747.0    !86TSA/HAM RRKM 1 atm
!C2H5+C2H3 = aC3H5+CH3                        3.90E+29  -4.24    22311.0    !86TSA/HAM RRKM 10 atm
!
! Reactions of C2H6
!
 C2H6+H = C2H5+H2                             1.15E+08    1.900   7530.00   !GRI
 C2H6+O = C2H5+OH                             8.98E+07    1.920   5690.00   !GRI
 C2H6+OH = C2H5+H2O                           3.54E+06    2.120    870.00   !GRI
 C2H6+CH2* = C2H5+CH3                         4.00E+13    0.000   -550.00   !GRI
 C2H6+CH3 = C2H5+CH4                          6.14E+06    1.740  10450.00   !GRI
!
!
! Reactions of C3H2
!
!C2H2 + CH = C3H2 + H                         3.00E+13    0.0        0.
!C3H2 + O = C2H2 + CO                         6.80E+13    0.0        0.
!C3H2 + OH = HCO + C2H2                       6.80E+13    0.0        0.
!C3H2 + O2 = HCCO + H + CO                    2.00E+12    0.0     1000.
!C3H2 + CH = C4H2 + H                         5.00E+13    0.0        0.
!C3H2 + CH2 = nC4H3 + H                       5.00E+13    0.0        0.
!C3H2 + CH3 = C4H4 + H                        5.00E+12    0.0        0.
!C3H2 + HCCO = nC4H3 + CO                     1.00E+13    0.0        0.
!C3H2 + H = C3H3	                      1.00E+13    0.0        0.
!C3H3 + H = C3H2 + H2                         5.00E+13    0.0     1000.
!C3H3 + OH = C3H2 + H2O                       2.00E+13    0.0        0.
!C4H2 + O = C3H2 + CO                         2.70E+13    0.0     1720.
!C6H3 + O2 => CO + C3H2 + HCCO                5.00E+11    0.0        0.

! Reactions of C3H3
!
 C3H3+H = pC3H4                               1.50E+13    0.0        0.0    !Estimated
 C3H3+H = aC3H4                               2.50E+12    0.0        0.0    !Estimated
 C3H3+O = CH2O+C2H                            2.00E+13    0.0        0.0    !89MIL/BOW
 C3H3+O2 = CH2CO+HCO                          3.00E+10    0.0     2868.0    !88SLA/GUT
 C3H3+HO2 = OH+CO+C2H3                        8.00E+11    0.0        0.0    !Estimated
 C3H3+HO2 = aC3H4+O2                          3.00E+11    0.0        0.0    !99DAV/LAW 
 C3H3+HO2 = pC3H4+O2                          2.50E+12    0.0        0.0    !99DAV/LAW 
 C3H3+HCO = aC3H4+CO                          2.50E+13    0.0        0.0    !Estimated
 C3H3+HCO = pC3H4+CO                          2.50E+13    0.0        0.0    !Estimated
 C3H3+HCCO = C4H4+CO                          2.50E+13    0.0        0.0    !Estimated
 C3H3+CH = iC4H3+H                            5.00E+13    0.0        0.0    !Estimated
 C3H3+CH2 = C4H4+H                            5.00E+13    0.0        0.0    !92MIL/MEL
 C3H3+CH3 (+M) = C4H612 (+M)                  1.50E+12    0.0        0.0    !97WAN/FRE
                                         LOW /2.60E+57 -11.94     9770.0    /
                                         TROE /0.175 1340.6 60000.0 9769.8  /
                 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C3H3+C2H2 = C5H5                             6.870E+55 -12.5    42025.0    !99MOS/LIN
 C3H3+C3H3 => C6H5+H                          5.000E+12   0.0        0.0    !97WAN/FRE
 C3H3+C3H3 => C6H6                            2.000E+12   0.0        0.0    !97WAN/FRE
 C3H3+C4H4 = C6H5CH2                          6.53E+5    1.28    -4611.0    !97JON/BAC
 C3H3+C4H6 = C6H5CH3+H                        6.53E+5    1.28    -4611.0    != C3H3+C4H4
!
! Reactions of aC3H4
!
 aC3H4+H = C3H3+H2                            1.30E+06    2.0     5500.0    !99DAV/LAW
!
!aC3H4+H = CH3CHCH                            1.10E+30   -6.52   15200.0    !99DAV/LAW RRKM 0.1 atm
 aC3H4+H = CH3CHCH                            5.40E+29   -6.09   16300.0    !99DAV/LAW RRKM 1 atm
!aC3H4+H = CH3CHCH                            2.60E+31   -6.23   18700.0    !99DAV/LAW RRKM 10 atm
!aC3H4+H = CH3CHCH                            3.20E+31   -5.88   21500.0    !99DAV/LAW RRKM 100 atm
!
!aC3H4+H = CH3CCH2                            9.20E+38   -8.65    7000.0    !99DAV/LAW RRKM 0.1 atm
 aC3H4+H = CH3CCH2                            9.46E+42   -9.43   11190.0    !99DAV/LAW RRKM 1 atm
!aC3H4+H = CH3CCH2                            8.47E+43   -9.59   12462.0    !99DAV/LAW RRKM 2 atm
!aC3H4+H = CH3CCH2                            6.98E+44   -9.70   14032.0    !99DAV/LAW RRKM 5 atm
!aC3H4+H = CH3CCH2                            1.50E+45   -9.69   15100.0    !99DAV/LAW RRKM 10 atm
!aC3H4+H = CH3CCH2                            1.80E+43   -8.78   16800.0    !99DAV/LAW RRKM 100 atm
!
!aC3H4+H = aC3H5                              9.60E+61  -14.67   26000.0    !99DAV/LAW RRKM 0.1 atm
 aC3H4+H = aC3H5                              1.52E+59  -13.54   26949.0    !99DAV/LAW RRKM 1 atm
!aC3H4+H = aC3H5                              3.78E+57  -12.98   26785.0    !99DAV/LAW RRKM 2 atm
!aC3H4+H = aC3H5                              7.34E+54  -12.09   26187.0    !99DAV/LAW RRKM 5 atm
!aC3H4+H = aC3H5                              2.40E+52  -11.30   25400.0    !99DAV/LAW RRKM 10 atm
!aC3H4+H = aC3H5                              6.90E+41   -8.06   21300.0    !99DAV/LAW RRKM 100 atm
!
 aC3H4+O = C2H4+CO                            2.00E+07    1.8     1000.0    !98DAV/LAW
 aC3H4+OH = C3H3+H2O                          5.30E+06    2.0     2000.0    !97WAN/FRE
 aC3H4+CH3 = C3H3+CH4                         1.30E+12   0.00     7700.0    !87WU/KER 
 aC3H4+CH3 = iC4H7                            2.00E+11   0.00     7500.0    ! PW P    
 aC3H4+C2H = C2H2+C3H3                        1.00E+13    0.0        0.0    !97WAN/FRE
!
! Reactions of pC3H4
!
!pC3H4 = cC3H4                                1.73E+12   0.31    60015.0    !99DAV/LAW RRKM kinf
!pC3H4 = cC3H4                                3.40E+46 -10.97    68900.0    !99DAV/LAW RRKM 0.1 atm
!pC3H4 = cC3H4                                2.84E+45 -10.45    69284.0    !99DAV/LAW RRKM 0.4 atm
 pC3H4 = cC3H4                                1.20E+44  -9.92    69250.0    !99DAV/LAW RRKM 1 atm
!pC3H4 = cC3H4                                5.47E+42  -9.43    69089.0    !99DAV/LAW RRKM 2 atm
!pC3H4 = cC3H4                                3.92E+40  -8.69    68706.0    !99DAV/LAW RRKM 5 atm
!pC3H4 = cC3H4                                5.30E+38  -8.06    68300.0    !99DAV/LAW RRKM 10 atm
!pC3H4 = cC3H4                                2.80E+31  -5.69    66400.0    !99DAV/LAW RRKM 100 atm
!
!pC3H4 = aC3H4                                6.40E+61 -14.59    88200.0    !99DAV/LAW RRKM 0.1 atm 
!pC3H4 = aC3H4                                5.81E+62 -14.63    91211.0    !99DAV/LAW RRKM 0.4 atm 
 pC3H4 = aC3H4                                5.15E+60 -13.93    91117.0    !99DAV/LAW RRKM 1 atm 
!pC3H4 = aC3H4                                7.64E+59 -13.59    91817.0    !99DAV/LAW RRKM 2 atm 
!pC3H4 = aC3H4                                3.12E+58 -13.07    92680.0    !99DAV/LAW RRKM 5 atm 
!pC3H4 = aC3H4                                1.90E+57 -12.62    93300.0    !99DAV/LAW RRKM 10 atm 
!pC3H4 = aC3H4                                1.40E+52 -10.86    95400.0    !99DAV/LAW RRKM 100 atm 
!
!pC3H4+H = aC3H4+H                            2.30E+15  -0.26     7600.0    !99DAV/LAW RRKM 0.1 atm
 pC3H4+H = aC3H4+H                            6.27E+17  -0.91    10079.0    !99DAV/LAW RRKM 1 atm
!pC3H4+H = aC3H4+H                            1.50E+18  -1.00    10756.0    !99DAV/LAW RRKM 2 atm
!pC3H4+H = aC3H4+H                            1.93E+18  -1.01    11523.0    !99DAV/LAW RRKM 5 atm
!pC3H4+H = aC3H4+H                            3.10E+22  -2.18    14800.0    !99DAV/LAW RRKM 10 atm
!pC3H4+H = aC3H4+H                            6.40E+27  -3.58    21200.0    !99DAV/LAW RRKM 100 atm
!
!pC3H4+H = CH3CCH2                            4.60E+44 -10.21    10200.0    !99DAV/LAW RRKM 0.1 atm
 pC3H4+H = CH3CCH2                            1.66E+47 -10.58    13690.0    !99DAV/LAW RRKM 1 atm
!pC3H4+H = CH3CCH2                            5.04E+47 -10.61    14707.0    !99DAV/LAW RRKM 2 atm
!pC3H4+H = CH3CCH2                            9.62E+47 -10.55    15910.0    !99DAV/LAW RRKM 5 atm
!pC3H4+H = CH3CCH2                            7.00E+47 -10.40    16600.0    !99DAV/LAW RRKM 10 atm
!pC3H4+H = CH3CCH2                            3.20E+44  -9.11    17400.0    !99DAV/LAW RRKM 100 atm
!
!pC3H4+H = CH3CHCH                            1.00E+25 -5.00      1800.0    !99DAV/LAW RRKM 0.1 atm
 pC3H4+H = CH3CHCH                            5.50E+28 -5.74      4300.0    !99DAV/LAW RRKM 1 atm
!pC3H4+H = CH3CHCH                            1.00E+34 -6.88      8900.0    !99DAV/LAW RRKM 10 atm
!pC3H4+H = CH3CHCH                            9.70E+37 -7.63     13800.0    !99DAV/LAW RRKM 100 atm
!
!pC3H4+H = aC3H5                              1.10E+60 -14.56    28100.0    !99DAV/LAW RRKM 0.1 atm
 pC3H4+H = aC3H5                              4.91E+60 -14.37    31644.0    !99DAV/LAW RRKM 1 atm
!pC3H4+H = aC3H5                              3.04E+60 -14.19    32642.0    !99DAV/LAW RRKM 2 atm
!pC3H4+H = aC3H5                              9.02E+59 -13.89    33953.0    !99DAV/LAW RRKM 5 atm
!pC3H4+H = aC3H5                              2.20E+59 -13.61    34900.0    !99DAV/LAW RRKM 10 atm
!pC3H4+H = aC3H5                              1.60E+55 -12.07    37500.0    !99DAV/LAW RRKM 100 atm
!
 pC3H4+H = C3H3+H2                            1.30E+06   2.0      5500.0    !97WAN/FRE
 pC3H4+C3H3 = aC3H4+C3H3                      6.14E+06   1.74    10450.     !Estimated
 pC3H4+O = HCCO+CH3                           0.73E+13   0.0      2250.0    !96ADU/BLU#
 pC3H4+O = C2H4+CO                            1.00E+13   0.0      2250.0    !96ADU/BLU#
 pC3H4+OH = C3H3+H2O                          1.00E+06   2.0       100.0    !98DAV/LAW 
 pC3H4+C2H = C2H2+C3H3                        1.00E+13   0.0         0.0    !Estimated
 pC3H4+CH3 = C3H3+CH4                         1.80E+12   0.0      7700.0    !87WU/KER
!
! Reactions of cC3H4
!
!cC3H4 = aC3H4                                1.98E+12   0.56    42240.0    !99DAV/LAW RRKM kinf
!cC3H4 = aC3H4                                2.30E+39  -8.81    47800.0    !99DAV/LAW RRKM 0.1 atm
!cC3H4 = aC3H4                                7.59E+40  -9.07    48831.0    !99DAV/LAW RRKM 0.4 atm
 cC3H4 = aC3H4                                4.89E+41  -9.17    49594.0    !99DAV/LAW RRKM 1 atm
!cC3H4 = aC3H4                                8.81E+41  -9.15    50073.0    !99DAV/LAW RRKM 2 atm
!cC3H4 = aC3H4                                4.33E+41  -8.93    50475.0    !99DAV/LAW RRKM 5 atm
!cC3H4 = aC3H4                                7.20E+40  -8.60    50600.0    !99DAV/LAW RRKM 10 atm
!cC3H4 = aC3H4                                1.60E+35  -6.64    49500.0    !99DAV/LAW RRKM 100 atm
!
! Reactions of allyl
!
 aC3H5+H(+M) = C3H6(+M)                       2.00E+14   0.00        0.0    !91TSA
                                       LOW  / 1.33E+60 -12.00   5967.8      /
                                       TROE / 0.020  1096.6  1096.6  6859.5 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 aC3H5+H = aC3H4+H2                           1.80E+13   0.00        0.0    !91TSA 
 aC3H5+O = C2H3CHO+H                          6.00E+13   0.00        0.0    !91TSA 
!
!aC3H5+OH = C2H3CHO+H+H                       5.30E+37  -6.71    29306.0    !91TSA RRKM 0.1 atm
 aC3H5+OH = C2H3CHO+H+H                       4.20E+32  -5.16    30126.0    !91TSA RRKM 1 atm
!aC3H5+OH = C2H3CHO+H+H                       1.60E+20  -1.56    26330.0    !91TSA RRKM 10 atm
!
 aC3H5+OH = aC3H4+H2O                         6.00E+12   0.00        0.0    !91TSA
!
 aC3H5+O2 = aC3H4+HO2                         4.99E+15  -1.40    22428.0    !93BOZ/DEA RRKM 1 atm
!aC3H5+O2 = aC3H4+HO2                         2.18E+21  -2.85    30755.0    !93BOZ/DEA RRKM 10 atm
!
 aC3H5+O2 = CH3CO+CH2O                        1.19E+15  -1.01    20128.0    !93BOZ/DEA RRKM 1 atm
!aC3H5+O2 = CH3CO+CH2O                        7.14E+15  -1.21    21046.0    !93BOZ/DEA RRKM 10 atm
!
 aC3H5+O2 = C2H3CHO+OH                        1.82E+13  -0.41    22859.0    !93BOZ/DEA RRKM 1 atm
!aC3H5+O2 = C2H3CHO+OH                        2.47E+13  -0.45    23017.0    !93BOZ/DEA RRKM 10 atm
!
 aC3H5+HO2 = C3H6+O2                          2.66E+12   0.00        0.0    !92BAU/COB 
 aC3H5+HO2 = OH+C2H3+CH2O                     6.60E+12   0.00        0.0    !92BAU/COB
 aC3H5+HCO = C3H6+CO                          6.00E+13   0.00        0.0    !91TSA
!
 aC3H5+CH3(+M) = C4H81(+M)                    1.00E+14  -0.32     -262.3    !91TSA
                                       LOW  / 3.91E+60 -12.81     6250.0    /
                                       TROE / 0.104  1606.0 60000.0  6118.4 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 aC3H5+CH3 = aC3H4+CH4                        3.00E+12  -0.32     -131.0    !91TSA !
!aC3H5 = CH3CCH2                              3.90E+59 -15.42    75400.0    !99DAV/LAW RRKM 0.1 atm
 aC3H5 = CH3CCH2                              7.06E+56 -14.08    75868.0    !99DAV/LAW RRKM 1 atm
!aC3H5 = CH3CCH2                              4.80E+55 -13.59    75949.0    !99DAV/LAW RRKM 2 atm
!aC3H5 = CH3CCH2                              4.86E+53 -12.81    75883.0    !99DAV/LAW RRKM 5 atm
!aC3H5 = CH3CCH2                              6.40E+51 -12.12    75700.0    !99DAV/LAW RRKM 10 atm
!aC3H5 = CH3CCH2                              2.80E+43  -9.27    74000.0    !99DAV/LAW RRKM 100 atm
!
!aC3H5 = CH3CHCH                              1.30E+55 -14.53    73800.0    !99DAV/LAW RRKM 0.1 atm
 aC3H5 = CH3CHCH                              5.00E+51 -13.02    73300.0    !99DAV/LAW RRKM 1 atm
!aC3H5 = CH3CHCH                              9.70E+48 -11.73    73700.0    !99DAV/LAW RRKM 10 atm
!aC3H5 = CH3CHCH                              4.86E+44 -9.84     73400.0    !99DAV/LAW RRKM 100 atm
!
!aC3H5+C2H2 = C5H6+H                          3.97E+14  0.00  0  24892.0    !91TSA
 aC3H5+C2H2 = lC5H7                           8.38E+30 -6.242    12824.0    !90DEAN
!
! Reactions of CH3CCH2 
!
!CH3CCH2 = CH3CHCH                            1.60E+44 -12.16    52200.0    !99DAV/LAW RRKM 0.1 atm
 CH3CCH2 = CH3CHCH                            1.50E+48 -12.71    53900.0    !99DAV/LAW RRKM 1 atm
!CH3CCH2 = CH3CHCH                            5.10E+52 -13.37    57200.0    !99DAV/LAW RRKM 10 atm
!CH3CCH2 = CH3CHCH                            5.80E+51 -12.43    59200.0    !99DAV/LAW RRKM 100 atm
!
 CH3CCH2+H = pC3H4+H2                         3.34E+12   0.00        0.0    !99DAV/LAW 
 CH3CCH2+O = CH3+CH2CO                        6.00E+13   0.00        0.0    !Estimated
 CH3CCH2+OH = CH3+CH2CO+H                     5.00E+12   0.00        0.0    !Estimated
 CH3CCH2+O2 = CH3CO+CH2O                      1.00E+11   0.00        0.0    !99DAV/LAW 
 CH3CCH2+HO2 = CH3+CH2CO+OH                   2.00E+13   0.00        0.0    !Estimated
 CH3CCH2+HCO = C3H6+CO                        9.00E+13   0.00        0.0    !Estimated
 CH3CCH2+CH3 = pC3H4+CH4                      1.00E+11   0.00        0.0    !99DAV/LAW 
 CH3CCH2+CH3 = iC4H8                          2.00E+13   0.00        0.0    ! PW P   
!
! Reactions of CH3CHCH 
!
 CH3CHCH+H = pC3H4+H2                         3.34E+12   0.00        0.0    ! = CH3CCH2+H 
 CH3CHCH+O = C2H4+HCO                         6.00E+13   0.00        0.0    !Estimated
 CH3CHCH+OH = C2H4+HCO+H                      5.00E+12   0.00        0.0    !Estimated
 CH3CHCH+O2 = CH3CHO+HCO                      1.00E+11   0.00        0.0    != CH3CCH2+O2
 CH3CHCH+HO2 = C2H4+HCO+OH                    2.00E+13   0.00        0.0    != CH3CCH2+HO2
 CH3CHCH+HCO = C3H6+CO                        9.00E+13   0.00        0.0    != CH3CCH2+HCO
 CH3CHCH+CH3 = pC3H4+CH4                      1.00E+11   0.00        0.0    != CH3CCH2+CH3
!
! Reactions of C3H6
!
 C3H6+H(+M) = nC3H7(+M)                       1.33E+13   0.00     3260.7    !91TSA
                                       LOW  / 6.26E+38  -6.66     7000.0    /
                                       TROE / 1.000  1000.0  1310.0 48097.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C3H6+H(+M) = iC3H7(+M)                       1.33E+13   0.00     1559.8    !91TSA
                                       LOW  / 8.70E+42  -7.50     4721.8    /
                                       TROE / 1.000  1000.0   645.4  6844.3 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!C3H6+H = C2H4+CH3                            8.80E+16  -1.05     6461.0    !91TSA RRKM 0.1 atm
 C3H6+H = C2H4+CH3                            8.00E+21  -2.39    11180.0    !91TSA RRKM 1 atm
!C3H6+H = C2H4+CH3                            3.30E+24  -3.04    15610.0    !91TSA RRKM 10 atm
!
 C3H6+H = aC3H5+H2                            1.73E+05   2.50     2490.0    !91TSA 
 C3H6+H = CH3CCH2+H2                          4.00E+05   2.50     9790.0    !91TSA 
 C3H6+H = CH3CHCH+H2                          8.04E+05   2.50    12283.0    !91TSA 
 C3H6+O = CH2CO+CH3+H                         0.80E+08   1.65      327.0    !91TSA 
 C3H6+O = C2H3CHO+H+H                         0.40E+08   1.65      327.0    !91TSA  
 C3H6+O = C2H5+HCO                            3.50E+07   1.65     -972.0    !91TSA 
 C3H6+O = aC3H5+OH                            1.80E+11   0.70     5880.0    !91TSA 
 C3H6+O = CH3CCH2+OH                          6.00E+10   0.70     7630.0    !91TSA 
 C3H6+O = CH3CHCH+OH                          1.21E+11   0.70     8960.0    !91TSA 
 C3H6+OH = aC3H5+H2O                          3.10E+06   2.00     -298.0    !91TSA 
 C3H6+OH = CH3CCH2+H2O                        1.10E+06   2.00     1450.0    !91TSA 
 C3H6+OH = CH3CHCH+H2O                        2.14E+06   2.00     2778.0    !91TSA 
 C3H6+HO2 = aC3H5+H2O2                        9.60E+03   2.60    13910.0    !91TSA 
 C3H6+CH3 = aC3H5+CH4                         2.20E+00   3.50     5675.0    !91TSA 
 C3H6+CH3 = CH3CCH2+CH4                       8.40E-01   3.50    11660.0    !91TSA 
 C3H6+CH3 = CH3CHCH+CH4                       1.35E+00   3.50    12848.0    !91TSA 
 C3H6+C2H3 = C4H6+CH3                         7.23E+11   0.0      5000.0    !91TSA 
 C3H6+HO2 = CH3CHOCH2+OH                      1.09E+12   0.00    14200.00   !85BAL/HIS
!
! Reactions of C2H3CHO 
!
 C2H3CHO+H = C2H4+HCO                         1.08E+11   0.454    5820.00   != C2H4+H 
 C2H3CHO+O = C2H3+OH+CO                       3.00E+13   0.00     3540.00   != CH2O+O
 C2H3CHO+O = CH2O+CH2CO                       1.90E+07   1.80      220.00   != C2H4+O
 C2H3CHO+OH = C2H3+H2O+CO                     3.43E+09   1.18     -447.00   != CH2O+OH
 C2H3CHO+CH3 = CH2CHCO+CH4                    2.00E+13   0.000   11000.00   !Estimated
 C2H3CHO+C2H3 = C4H6+HCO                      2.80E+21  -2.440   14720.00   != C2H4+C2H3
!
! Reactions of CH2CHCO 
!
 CH2CHCO = C2H3+CO                            1.00E+14   0.000   27000.00   !Estimated
 CH2CHCO+H = C2H3CHO                          1.00E+14   0.000      00.00   !Estimated
!
! Reactions of CH3CHOCH2 
!
 CH3CHOCH2 = CH3CH2CHO                        1.840E+14  0.000   58500.00   !77FLO
 CH3CHOCH2 = C2H5+HCO                         2.450E+13  0.000   58500.00   !94LIF/TAM
 CH3CHOCH2 = CH3+CH2CHO                       2.450E+13  0.000   58800.00   !94LIF/TAM
 CH3CHOCH2 = CH3COCH3                         1.010E+14  0.000   59900.00   !77FLO
 CH3CHOCH2 = CH3+CH3CO                        4.540E+13  0.000   59900.00   !94LIF/TAM
!
! Reactions of iC3H7
!
 iC3H7+H(+M) = C3H8(+M)                       2.40E+13   0.00        0.0    !88TSA
                                       LOW  / 1.70E+58 -12.08    11263.7    /
                                       TROE / 0.649  1213.1  1213.1 13369.7 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!iC3H7+H = CH3+C2H5                           5.90E+23  -2.81    10009.0    !88TSA RRKM 0.1 atm
 iC3H7+H = CH3+C2H5                           1.40E+28  -3.94    15916.0    !88TSA RRKM 1 atm
!iC3H7+H = CH3+C2H5                           4.00E+24  -2.83    17542.0    !88TSA RRKM 10 atm
!
 iC3H7+H = C3H6+H2                            3.20E+12   0.00        0.0    !88TSA
 iC3H7+O = CH3CHO+CH3                         9.60E+13   0.00        0.0    !88TSA
 iC3H7+OH = C3H6+H2O                          2.40E+13   0.00        0.0    !88TSA
 iC3H7+O2 = C3H6+HO2                          1.30E+11   0.00        0.0    !88TSA 
 iC3H7+HO2 = CH3CHO+CH3+OH                    2.40E+13   0.00        0.0    !88TSA 
 iC3H7+HCO = C3H8+CO                          1.20E+14   0.00        0.0    !88TSA
 iC3H7+CH3 = CH4 + C3H6                       2.20E+14  -0.68        0.0    !88TSA
!
! Reactions of nC3H7
!
 nC3H7+H(+M) = C3H8(+M)                       3.60E+13   0.00        0.0    !88TSA
                                       LOW  / 3.01E+48  -9.32     5833.6    /
                                       TROE / 0.498  1314.0  1314.0 50000.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!nC3H7+H = C2H5+CH3                           3.40E+18  -1.33     5386.0    !88TSA RRKM 0.1 atm
 nC3H7+H = C2H5+CH3                           3.70E+24  -2.92    12505.0    !88TSA RRKM 1 atm
!nC3H7+H = C2H5+CH3                           3.10E+27  -3.59    19059.0    !88TSA RRKM 10 atm
!
 nC3H7+H = C3H6+H2                            1.80E+12   0.00       0.0     !88TSA 
 nC3H7+O = C2H5+CH2O                          9.60E+13   0.00       0.0     !88TSA
 nC3H7+OH = C3H6+H2O                          2.40E+13   0.00       0.0     !88TSA
 nC3H7+O2 = C3H6+HO2                          9.00E+10   0.00       0.0     !88TSA
 nC3H7+HO2 = C2H5+OH+CH2O                     2.40E+13   0.00       0.0     !88TSA
 nC3H7+HCO = C3H8+CO                          6.00E+13   0.00       0.0     !88TSA
 nC3H7+CH3 = CH4+C3H6                         1.10E+13   0.00       0.0     !88TSA
!
! Reactions of C3H8
!
 C3H8+H = H2+nC3H7                            1.30E+06   2.54    6756.0     !88TSA 
 C3H8+H = H2+iC3H7                            1.30E+06   2.40    4471.0     !88TSA 
 C3H8+O = nC3H7+OH                            1.90E+05   2.68    3716.0     !88TSA 
 C3H8+O = iC3H7+OH                            4.76E+04   2.71    2106.0     !88TSA 
 C3H8+OH = nC3H7+H2O                          1.40E+03   2.66     527.0     !88TSA 
 C3H8+OH = iC3H7+H2O                          2.70E+04   2.39     393.0     !88TSA 
 C3H8+O2 = nC3H7+HO2                          4.00E+13   0.00   50930.0     !88TSA 
 C3H8+O2 = iC3H7+HO2                          4.00E+13   0.00   47590.0     !88TSA 
 C3H8+HO2 = nC3H7+H2O2                        4.76E+04   2.55   16490.0     !88TSA 
 C3H8+HO2 = iC3H7+H2O2                        9.64E+03   2.60   13910.0     !88TSA 
 C3H8+CH3 = CH4+nC3H7                         9.03E-01   3.65    7153.0     !88TSA 
 C3H8+CH3 = CH4+iC3H7                         1.51E+00   3.46    5480.0     !88TSA 
!
! Reactions of C4H2
!
!C4H2 + H = nC4H3                             1.70E+49 -11.67   12804.0     !   20 Torr RRKM WAN/FRE
!C4H2 + H = nC4H3                             3.30E+50 -11.80   15010.0     !   90 Torr RRKM WAN/FRE
 C4H2 + H = nC4H3                             1.10E+42  -8.72   15300.0     !  760 Torr RRKM WAN/FRE
!
!C4H2 + H = iC4H3                             4.30E+45 -10.15   13250.0     !   20 Torr RRKM WAN/FRE
!C4H2 + H = iC4H3                             2.60E+46 -10.15   15500.0     !   90 Torr RRKM WAN/FRE
 C4H2 + H = iC4H3                             1.10E+30  -4.92   10800.0     !  760 Torr RRKM WAN/FRE
!
 C4H2+OH = H2C4O+H                            6.60E+12    0.0    -410.      !84PER
 C4H2+C2H = C6H2+H                            9.60E+13    0.0       0.      != C2H2 + C2H
!
!C4H2 + C2H = C6H3                            1.10E+30   -6.30   2790.0     !   20 Torr RRKM WAN/FRE
!C4H2 + C2H = C6H3                            1.30E+30   -6.12   2510.0     !   90 Torr RRKM WAN/FRE
 C4H2 + C2H = C6H3                            4.50E+37   -7.68   7100.0     !  760 Torr RRKM WAN/FRE
!
! Reactions of H2C4O
!
 H2C4O+H = C2H2+HCCO                          5.00E+13    0.0    3000.      !92MIL/MEL
 H2C4O+OH = CH2CO+HCCO                        1.00E+07    2.0    2000.      !92MIL/MEL
!
! Reactions of nC4H3
!
!nC4H3 = iC4H3                                3.70E+61  -15.81  54890.0     !   20 Torr RRKM WAN/FRE
!nC4H3 = iC4H3                                1.00E+51  -12.45  51000.0     !   90 Torr RRKM WAN/FRE
 nC4H3 = iC4H3                                4.10E+43   -9.49  53000.0     !  760 Torr RRKM WAN/FRE
!
!nC4H3 + H = iC4H3 + H                        2.40E+11    0.79   2410.0     !   20 Torr RRKM WAN/FRE
!nC4H3 + H = iC4H3 + H                        9.20E+11    0.63   2990.0     !   90 Torr RRKM WAN/FRE
 nC4H3 + H = iC4H3 + H                        2.50E+20   -1.67  10800.0     !  760 Torr RRKM WAN/FRE
!
!nC4H3 + H = C2H2 + H2CC                      1.60E+19   -1.60   2220.0     !   20 Torr RRKM WAN/FRE
!nC4H3 + H = C2H2 + H2CC                      1.30E+20   -1.85   2960.0     !   90 Torr RRKM WAN/FRE
 nC4H3 + H = C2H2 + H2CC                      6.30E+25   -3.34  10014.0     !  760 Torr RRKM WAN/FRE
!  
!nC4H3 + H = C4H4                             1.10E+42   -9.65   7000.0     !   20 Torr RRKM WAN/FRE
!nC4H3 + H = C4H4                             1.10E+42   -9.65   7000.0     !   90 Torr RRKM WAN/FRE
 nC4H3 + H = C4H4                             2.00E+47  -10.26  13070.0     !  760 Torr RRKM WAN/FRE
!
 nC4H3+H = C4H2+H2                            3.00E+13    0.00      0.      != 0.5*C2H3+H
 nC4H3+OH = C4H2+H2O                          2.00E+12    0.00      0.      != 0.5*C2H3+OH
!
!nC4H3 + C2H2 = l-C6H4 + H                    1.40E+15   -0.81  10000.      !   10 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = l-C6H4 + H                    3.70E+16   -1.21  11100.      !   20 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = l-C6H4 + H                    1.80E+19   -1.95  13200.      !   90 Torr RRKM WAN/FRE
 nC4H3 + C2H2 = l-C6H4 + H                    2.50E+14   -0.56  10600.      !  760 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = l-C6H4 + H                    1.20E+17   -1.28  13700.      ! 7600 Torr RRKM WAN/FRE
! 
!nC4H3 + C2H2 = C6H5                          1.40E+67  -17.42  23000.      !   10 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = C6H5                          2.30E+68  -17.65  24400.      !   20 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = C6H5                          9.80E+68  -17.58  26500.      !   90 Torr RRKM WAN/FRE
 nC4H3 + C2H2 = C6H5                          9.60E+70  -17.77  31300.      !  760 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = C6H5                          1.90E+63  -15.25  30600.      ! 7600 Torr RRKM WAN/FRE
!
!nC4H3 + C2H2 = o-C6H4 + H                    9.20E+33   -6.57  15900.      !   10 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = o-C6H4 + H                    1.90E+36   -7.21  17900.      !   20 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = o-C6H4 + H                    3.50E+41   -8.63  23000.      !   90 Torr RRKM WAN/FRE
 nC4H3 + C2H2 = o-C6H4 + H                    6.90E+46  -10.01  30100.      !  760 Torr RRKM WAN/FRE
!nC4H3 + C2H2 = o-C6H4 + H                    3.10E+49  -10.59  37700.      ! 7600 Torr RRKM WAN/FRE
!
! Reactions of iC4H3
!
!iC4H3 + H = C2H2 + H2CC                      2.40E+19   -1.60   2800.0     !   20 Torr RRKM WAN/FRE
!iC4H3 + H = C2H2 + H2CC                      3.70E+22   -2.50   5140.0     !   90 Torr RRKM WAN/FRE
 iC4H3 + H = C2H2 + H2CC                      2.80E+23   -2.55  10780.0     !  760 Torr RRKM WAN/FRE
!  
!iC4H3 + H = C4H4                             4.20E+44  -10.27   7890.0     !   20 Torr RRKM WAN/FRE
!iC4H3 + H = C4H4                             5.30E+46  -10.68   9270.0     !   90 Torr RRKM WAN/FRE
 iC4H3 + H = C4H4                             3.40E+43   -9.01  12120.0     !  760 Torr RRKM WAN/FRE
!   
 iC4H3+H = C4H2+H2                            6.00E+13    0.00      0.      != C2H3+H
 iC4H3+OH = C4H2+H2O                          4.00E+12    0.00      0.      != C2H3+OH
 iC4H3+O2 = HCCO+CH2CO                        7.86E+16   -1.80      0.      !89SLA/BER
!
! Reactions of C4H4
!
!
!C4H4 + H = nC4H5                             1.20E+51  -12.57    12300.    !   10 Torr RRKM WAN/FRE
!C4H4 + H = nC4H5                             4.20E+50  -12.34    12500.    !   20 Torr RRKM WAN/FRE
!C4H4 + H = nC4H5                             1.10E+50  -11.94    13400.    !   90 Torr RRKM WAN/FRE
 C4H4 + H = nC4H5                             1.30E+51  -11.92    16500.    !  760 Torr RRKM WAN/FRE
!C4H4 + H = nC4H5                             6.20E+45  -10.08    15800.    ! 7600 Torr RRKM WAN/FRE
! 
!C4H4 + H = iC4H5                             6.10E+53  -13.19    14200.    !   10 Torr RRKM WAN/FRE
!C4H4 + H = iC4H5                             9.60E+52  -12.85    14300.    !   20 Torr RRKM WAN/FRE
!C4H4 + H = iC4H5                             2.10E+52  -12.44    15500.    !   90 Torr RRKM WAN/FRE
 C4H4 + H = iC4H5                             4.90E+51  -11.92    17700.    !  760 Torr RRKM WAN/FRE
!C4H4 + H = iC4H5                             1.50E+48  -10.58    18800.    ! 7600 Torr RRKM WAN/FRE
!
 C4H4+H = nC4H3+H2                            6.65E+05    2.53   12240.     !97WAN/FRE
 C4H4+H = iC4H3+H2                            3.33E+05    2.53    9240.     !97WAN/FRE
 C4H4+OH = nC4H3+H2O                          3.10E+07    2.0     3430.     !97WAN/FRE
 C4H4+OH = iC4H3+H2O                          1.55E+07    2.0      430.     !97WAN/FRE
 C4H4+O = C3H3+HCO                            6.00E+08    1.45    -860.     != C4H6+O
 C4H4+C2H = l-C6H4+H                          1.20E+13    0.0        0.     != C2H+C2H4
!
! Reactions of nC4H5
!
!nC4H5 = iC4H5                                2.40E+60 -16.08     47500.    !   10 Torr RRKM WAN/FRE
!nC4H5 = iC4H5                                1.30E+62 -16.38     49600.    !   20 Torr RRKM WAN/FRE
!nC4H5 = iC4H5                                4.90E+66 -17.26     55400.    !   90 Torr RRKM WAN/FRE
 nC4H5 = iC4H5                                1.50E+67 -16.89     59100.    !  760 Torr RRKM WAN/FRE
!nC4H5 = iC4H5                                2.00E+60 -14.46     58600.    ! 7600 Torr RRKM WAN/FRE
!
!nC4H5 + H = iC4H5 + H                        1.00E+36  -6.26     17486.    ! RRKM 20 Torr  WAN/FRE
!nC4H5 + H = iC4H5 + H                        1.00E+34  -5.61     18476.    ! RRKM 90 Torr  WAN/FRE
 nC4H5 + H = iC4H5 + H                        3.10E+26  -3.35     17423.    ! RRKM 760 Torr WAN/FRE
!
 nC4H5+H = C4H4+H2                            1.50E+13   0.00         0.    !97WAN/FRE
 nC4H5+OH = C4H4+H2O                          2.00E+12   0.00         0.    !97WAN/FRE
 nC4H5+HCO = C4H6+CO                          5.00E+12   0.0          0.    !97WAN/FRE
 nC4H5+HO2 = C2H3+CH2CO+OH                    6.60E+12   0.0          0.    !97WAN/FRE
 nC4H5+H2O2 = C4H6+HO2                        1.21E+10   0.0       -596.    !97WAN/FRE
 nC4H5+HO2 = C4H6+O2                          6.00E+11   0.0          0.    !Estimated
 nC4H5+O2 = CH2CHCHCHO+O                      3.00E+11   0.29        11.    != C2H3+O2=>CH2CHO+O
 nC4H5+O2 = HCO+C2H3CHO                       9.20E+16  -1.39      1010.    != C2H3+O2=>HCO+CH2O
!
!nC4H5 + C2H2 = C6H6 + H                      2.10E+15     -1.07    4800.  !   10 Torr RRKM WAN/FRE
!nC4H5 + C2H2 = C6H6 + H                      2.10E+15     -1.07    4800.  !   20 Torr RRKM WAN/FRE
!nC4H5 + C2H2 = C6H6 + H                      2.10E+15     -1.07    4800.  !   90 Torr RRKM WAN/FRE
 nC4H5 + C2H2 = C6H6 + H                      1.60E+16     -1.33    5400.  !  760 Torr RRKM WAN/FRE
!nC4H5 + C2H2 = C6H6 + H                      1.60E+18     -1.88    7400.  ! 7600 Torr RRKM WAN/FRE
!
 nC4H5+C2H3 = C6H6+H2                         1.84E-13   7.07     -3611.    !89WES/DEA
!nC4H5+C4H4 =C6H5C2H3+H                       3.16E+11   0.0        600.    !84COL/BIT
!
! Reactions of iC4H5
!
 iC4H5+H = C4H4+H2                            3.0E+13    0.00         0.    !97WAN/FRE
 iC4H5+H = C3H3+CH3                           2.00E+13   0.0       2000.    !Estimated
 iC4H5+OH = C4H4+H2O                          4.0E+12    0.00         0.    !97WAN/FRE
 iC4H5+HCO = C4H6+CO                          5.00E+12   0.0          0.    !97WAN/FRE
 iC4H5+HO2 = C4H6+O2                          6.000E+11  0.00         0.    !Estimated
 iC4H5+HO2 = C2H3+CH2CO+OH                    6.60E+12   0.0          0.    !97WAN/FRE
 iC4H5+H2O2 = C4H6+HO2                        1.21E+10   0.000     -596.    !97WAN/FRE
 iC4H5+O2 = CH2CO+CH2CHO                      2.16E+10   0.00      2500.    != C4H5-2+O2
!iC4H5+C4H4 =C6H5C2H3+H                       5.000E+14  0.0      25000.    !Estimated
!
! Reactions of C4H5-2
!
 C4H5-2 = iC4H5                               1.5E+67  -16.89     59100.    != nC4H5=>iC4H5
 iC4H5+H = C4H5-2+H                           3.1E+26   -3.35     17423.    != nC4H5+H=>iC4H5+H
 C4H5-2+HO2 = OH+C2H2+CH3CO                   8.00E+11   0.0          0.    !Estimated
 C4H5-2+O2 = CH3CO+CH2CO                      2.16E+10   0.00      2500.    !92SLA/BEN
 C4H5-2+C2H2 = C6H6+H                         5.00E+14   0.00     25000.    !Estimated
 C4H5-2+C2H4 = C5H6+CH3                       5.00E+14   0.000    25000.    !Estimated
!
! Reactions of 1,3-C4H6
!
!C4H6 = iC4H5 + H                             8.20E+51 -10.92    118409.    ! RRKM 20 Torr  WAN/FRE
!C4H6 = iC4H5 + H                             3.30E+45  -8.95    115934.    ! RRKM 90 Torr  WAN/FRE
 C4H6 = iC4H5 + H                             5.70E+36  -6.27    112353.    ! RRKM 760 Torr WAN/FRE
!
!C4H6 = nC4H5 + H                             3.50E+61 -13.87    129677.    ! RRKM 20 Torr  WAN/FRE
!C4H6 = nC4H5 + H                             8.50E+54 -11.78    127472.    ! RRKM 90 Torr  WAN/FRE
 C4H6 = nC4H5 + H                             5.30E+44  -8.62    123608.    ! RRKM 760 Torr WAN/FRE
!
 C4H6 = C4H4+H2                               2.50E+15   0.0      94700.    !96HID/HIG
 C4H6+H = nC4H5+H2                            1.33E+06   2.53     12240.    != C2H4+H
 C4H6+H = iC4H5+H2                            6.65E+05   2.53      9240.    !Estimated
!
!C2H4 + C2H3 = C4H6 + H                       7.40E+14  -0.66    8420.0     !   20 Torr RRKM WAN/FRE
!C2H4 + C2H3 = C4H6 + H                       1.90E+17  -1.32   10600.0     !   90 Torr RRKM WAN/FRE
 C4H6+H = C2H4+C2H3                           1.46E+30  -4.34     21647.    !97WAN/FRE 1 atm
!C4H6+H = C2H4+C2H3                           5.45E+30  -4.51     21877.    !97WAN/FRE 10 atm
!
 C4H6+H = pC3H4+CH3                           2.00E+12   0.0       7000.    !Estimated
 C4H6+H = aC3H4+CH3                           2.00E+12   0.0       7000.    !Estimated
 C4H6+O = nC4H5+OH                            0.75E+07   1.90      3740.    != C2h4+O
 C4H6+O = iC4H5+OH                            0.75E+07   1.90      3740.    != C2h4+O
 C4H6+O = CH3CHCHCO+H                         1.5E+08    1.45      -860.    !93ADU/FON#
 C4H6+O = CH2CHCHCHO+H                        4.5E+08    1.45      -860.    !93ADU/FON#
 C4H6+OH = nC4H5+H2O                          6.20E+06   2.0       3430.    !88LIU/MUL
 C4H6+OH = iC4H5+H2O                          3.10E+06   2.0        430.    !Estimated
 C4H6+HO2 = C4H6O25+OH                        1.20E+12   0.0      14000.    !Estimated
 C4H6+HO2 = C2H3CHOCH2+OH                     4.80E+12   0.0      14000.    !Estimated
 C4H6+CH3 = nC4H5+CH4                         2.00E+14   0.0      22800.    !96HID/HIG
 C4H6+CH3 = iC4H5+CH4                         1.00E+14   0.0      19800.    !96HID/HIG
 C4H6+C2H3 = nC4H5+C2H4                       5.00E+13   0.0      22800.    !96HID/HIG
 C4H6+C2H3 = iC4H5+C2H4                       2.50E+13   0.0      19800.    !96HID/HIG
 C4H6+C3H3 = nC4H5+aC3H4                      1.00E+13   0.0      22500.    !96HID/HIG
 C4H6+C3H3 = iC4H5+aC3H4                      0.50E+13   0.0      19500.    !96HID/HIG
 C4H6+aC3H5 = nC4H5+C3H6                      1.00E+13   0.0      22500.    !Estimated
 C4H6+aC3H5 = iC4H5+C3H6                      0.50E+13   0.0      19500.    !Estimated
 C4H6+C2H3 = C6H6+H2+H                        5.62E+11   0.0       3240.    !95LEU/LIN
!
! Reactions of 1,2-C4H6
!
 C4H612 = iC4H5+H                             4.20E+15   0.0      92600.    !95LEU/LIN
 C4H612+H = C4H6+H                            2.00E+13   0.0       4000.    !Estimated
 C4H612+H = iC4H5+H2                          1.70E+05   2.5       2490.    != C3H6+H
 C4H612+H = aC3H4+CH3                         2.00E+13   0.0       2000.    !97WAN/FRE
 C4H612+H = pC3H4+CH3                         2.00E+13   0.0       2000.    !97WAN/FRE
 C4H612+CH3 = iC4H5+CH4                       7.00E+13   0.0      18500.    !88KER/SIN
 C4H612+O = CH2CO+C2H4                        1.20E+08   1.65       327.    != C3H6+O
 C4H612+O = iC4H5+OH                          1.80E+11   0.70      5880.    != C3H6+O
 C4H612+OH = iC4H5+H2O                        3.10E+06   2.00      -298.    != C3H6+OH
 C4H612 = C4H6                                3.00E+13   0.0      65000.    !96HID/HIG
!
! Reactions of C4H6-2
!
 C4H6-2 = C4H6                                3.00E+13   0.000    65000.    !96HID/HIG
 C4H6-2 = C4H612                              3.00E+13   0.000    67000.    !96HID/HIG
 C4H6-2+H = C4H612+H                          2.00E+13   0.0       4000.    !Estimated
 C4H6-2+H = C4H5-2+H2                         3.40E+05   2.5       2490.    != C3H6+H 
 C4H6-2+H = CH3+pC3H4                         2.60E+5    2.500     1000.    !96HID/HIG
 C4H6-2 = H+C4H5-2                            5.00E+15   0.000    87300.    !96HID/HIG
 C4H6-2+CH3 = C4H5-2+CH4                      1.40E+14   0.0      18500.    !Estimated
!
! Reactions of C4H6O isomers
!
 C2H3CHOCH2 = C4H6O23                         2.00E+14   0.0      50600.    !76CRA/LUT
 C4H6O23 = CH3CHCHCHO                         1.95E+13   0.0      49400.    !89LIF/BID
 C4H6O23 = C2H4+CH2CO                         5.75E+15   0.0      69300.    !89LIF/BID
 C4H6O23 = C2H2+CH2OCH2                       1.00E+16   0.0      75800.    !89LIF/BID
 C4H6O25 = C4H4O+H2                           5.30E+12   0.0      48500.    !86LIF/BID1
!
! Reactions of C4H4O
!
 C4H4O = CO+pC3H4                             1.78E+15   0.0      77500.    !86LIF/BID2
 C4H4O = C2H2+CH2CO                           5.01E+14   0.0      77500.    !86LIF/BID2
!
! Reactions of CH3CHCHCHO
! 
 CH3CHCHCHO = C3H6+CO                         3.90E+14    0.0      69000.   != HCCCHO=>C2H2+CO
 CH3CHCHCHO+H = CH2CHCHCHO+H2                 1.70E+5     2.5       2490.   != C3H6+H=>aC3H5+H2
 CH3CHCHCHO+H = CH3CHCHCO+H2                  1.00E+5     2.5       2490.   !Estimated
 CH3CHCHCHO+H = CH3+C2H3CHO                   4.00E+21   -2.390    11180.   != C3H6+H=>C2H4+CH3
 CH3CHCHCHO+H = C3H6+HCO                      4.00E+21   -2.390    11180.   != C3H6+H=>C2H4+CH3
 CH3CHCHCHO+CH3 = CH2CHCHCHO+CH4              2.10E+00    3.50      5675.   != C3H6+CH3=>aC3H5+CH4
 CH3CHCHCHO+CH3 = CH3CHCHCO+CH4               1.10E+00    3.50      5675.   !Estimated
 CH3CHCHCHO+C2H3 = CH2CHCHCHO+C2H4            2.21E+00    3.50      4682.   !=C3H6+C2H3=>aC3H5+C2H4
 CH3CHCHCHO+C2H3 = CH3CHCHCO+C2H4             1.11E+00    3.50      4682.   !Estimated
!
! Reactions of CH3CHCHCO
! 
 CH3CHCHCO = CH3CHCH+CO                       1.00E+14    0.0      30000.   !Estimated
 CH3CHCHCO+H = CH3CHCHCHO                     1.00E+14    0.0         00.   !Estimated
!
! Reactions of CH2CHCHCHO
! 
 CH2CHCHCHO = aC3H5+CO                        1.00E+14    0.0      25000.   !Estimated
 CH2CHCHCHO+H = CH3CHCHCHO                    1.00E+14    0.0         00.   !Estimated
!
! Reactions of C4H7
!
 C4H7 = C4H6+H                                2.48E+53 -12.30     52000.0   !97WAN/FRE
!C4H7 = C4H6+H                                1.85E+48 -10.50     51770.0   !97WAN/FRE 10 atm
!
 C4H7+H(+M) = C4H81(+M)                       3.60E+13   0.00         0.0   != nC3H7+H
                                       LOW  / 3.01E+48  -9.32      5833.6   /
                                       TROE / 0.498  1314.0  1314.0 50000.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C4H7+H = CH3+aC3H5                           2.00E+21  -2.00     11000.0   !Estimated
 C4H7+H = C4H6+H2                             1.80E+12   0.00         0.0   != nC3H7+H
 C4H7+O2 = C4H6+HO2                           1.00E+11   0.00         0.0   !Estimated
 C4H7+HO2 = CH2O+OH+aC3H5                     2.40E+13   0.00         0.0   != nC3H7+HO2
 C4H7+HCO = C4H81+CO                          6.00E+13   0.00         0.0   != nC3H7+HCO
 C4H7+CH3 = C4H6+CH4                          1.10E+13   0.00         0.0   != nC3H7+CH3
!
! Reaction of iC4H7 2-methylpropen-3-yl  
!
 iC4H7+H(+M) = iC4H8(+M)                      2.00E+14   0.00         0.0   ! =(aC3H5+H) TS5 600cm-1
                                       LOW  / 1.33E+60 -12.00      5967.8   /
                                       TROE / 0.020  1096.6  1096.6  6859.5 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!iC4H7+H = CH3CCH2+CH3                        2.20E+51  -9.98     37730.0   ! =(aC3H5+H) TS5 0.1 atm
 iC4H7+H = CH3CCH2+CH3                        2.60E+45  -8.19     37890.0   ! =(aC3H5+H) TS5 1 atm
!iC4H7+H = CH3CCH2+CH3                        3.40E+32  -4.46     33760.0   ! =(aC3H5+H) TS5 10 atm
!
 iC4H7+O = CH2O+CH3CCH2                       9.00E+13   0.00         0.0   ! Estimated
 iC4H7+HO2 = CH3CCH2+CH2O+OH                  4.00E+12   0.00         0.0   ! Estimated              
!
!
! Reactions of 1-butene
!
 C4H81+H(+M) = pC4H9(+M)                      1.33E+13   0.00      3260.7   ! =(C3H6+H) TS5 600 cm-1
                                       LOW  / 6.26E+38  -6.66      7000.0   /
                                       TROE / 1.000  1000.0  1310.0 48097.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C4H81+H(+M) = sC4H9(+M)                      1.33E+13   0.00      1559.8   ! =(C3H6+H) TS5 600 cm-1
                                       LOW  / 8.70E+42  -7.50      4721.8   /
                                       TROE / 1.000  1000.0   645.4  6844.3 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/     
!
 C4H81+H = C2H4+C2H5                          1.60E+22  -2.39     11180.0   != C3H6+H
 C4H81+H = C3H6+CH3                           3.20E+22  -2.39     11180.0   !Estimated
 C4H81+H = C4H7+H2                            6.50E+05   2.54      6756.0   != (C3H8+H)/2
 C4H81+O = nC3H7+HCO                          3.30E+08   1.45      -402.0   !91KO/ADU
 C4H81+O = C4H7+OH                            1.50E+13   0.00      5760.0   !91KO/ADU
    duplicate
 C4H81+O = C4H7+OH                            2.60E+13   0.00      4470.0   !91KO/ADU
    duplicate
 C4H81+OH = C4H7+H2O                          7.00E+02   2.66       527.0   !=(C3H8+OH)
 C4H81+O2 = C4H7+HO2                          2.00E+13   0.00     50930.0   !=(C3H8+O2)
 C4H81+HO2 = C4H7+H2O2                        1.00E+12   0.00     14340.0   !89WAL
 C4H81+CH3 = C4H7+CH4                         4.50E-01   3.65      7153.0   !=(C3H8+CH3)
!
! Reactions of 2-butene
!
 C4H82+H(+M) = sC4H9(+M)                      1.33E+13   0.00      1559.8   ! =(C3H6+H=iC3H7) TS5 600cm-1
                                       LOW  / 8.70E+42  -7.50      4721.8   /
                                       TROE / 1.000  1000.0   645.4  6844.3 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C4H82+H = C4H7+H2                            3.40E+05   2.50      2490.0   ! =(C3H6+H)*2 TS5 k(a)
 C4H82+O = C2H4+CH3CHO                        2.40E+08   1.65       327.0   ! =(C3H6+O)*2 TS5 k(a+b)
 C4H82+OH = C4H7+H2O                          6.20E+06   2.00      -298.0   ! =(C3H6+OH)*2 TS5
 C4H82+O2 = C4H7+HO2                          5.00E+13   0.00     53300.0   ! Estimated
 C4H82+HO2 = C4H7+H2O2                        1.90E+04   2.60     13910.0   ! =(C3H6+HO2)*2 TS5
 C4H82+CH3 = C4H7+CH4                         4.40E+00   3.50      5675.0   ! =(C3H6+CH3)*2 TS5 k(c)
!
! Reactions of i-butene
!
 iC4H8+H(+M) = iC4H9(+M)                      1.33E+13   0.00      3260.7   ! =(C3H6+H=nC3H7) TS5 600 cm-1
                                       LOW  / 6.26E+38  -6.66      7000.0  /
                                       TROE / 1.000  1000.0  1310.0 48097.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 iC4H8+H = iC4H7+H2                           1.20E+06   2.54      6760.0   ! =(iC4H10+H)*2/3 TS4
!
!iC4H8+H = C3H6+CH3                           8.80E+16  -1.05      6461.0   ! =(iC4H8+H) TS5 0.1 atm
 iC4H8+H = C3H6+CH3                           8.00E+21  -2.39     11180.0   ! =(iC4H8+H) TS5 1 atm
!iC4H8+H = C3H6+CH3                           3.30E+24  -3.04     15610.0   ! =(iC4H8+H) TS5 10 atm
!
 iC4H8+O = CH3+CH3+CH2CO                      1.20E+08   1.65       327.0   ! =(C3H6+O) TS5
 iC4H8+O = iC3H7+HCO                          3.50E+07   1.65      -972.0   ! =(C3H6+O) TS5 k(c)
 iC4H8+O = iC4H7+OH                           2.90E+05   2.50      3640.0   ! =(iC4H10+O)*2/3 TS4
 iC4H8+OH = iC4H7+H2O                         1.50E+08   1.53       775.0   ! =(iC4H10+OH)*2/3 TS4
 iC4H8+HO2 = iC4H7+H2O2                       2.00E+04   2.55     15500.0   ! =(iC4H10+HO2)*2/3 TS4
 iC4H8+O2 = iC4H7+HO2                         2.70E+13   0.00     50900.0   ! =(iC4H10+O2)*2/3 TS4
 iC4H8+CH3 = iC4H7+CH4                        9.10E-01   3.65      7150.0   ! =(iC4H10+CH3)*2/3 TS4  
!
! Reactions of 1-butyl
!
 C2H4+C2H5 = pC4H9                            1.50E+11   0.00      7300.0   ! KP, P  
 pC4H9+H(+M) = C4H10(+M)                      3.60E+13   0.00         0.0   ! =(nC3H7+H) TS3 600 cm-1
                                       LOW  / 3.01E+48  -9.32      5833.6   /
                                       TROE / 0.498  1314.0  1314.0 50000.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!pC4H9+H = C2H5+C2H5                          3.40E+18  -1.33       5386.0  ! =(nC3H7+H) TS3 0.1 atm
 pC4H9+H = C2H5+C2H5                          3.70E+24  -2.92      12505.0  ! =(nC3H7+H) TS3 1 atm
!pC4H9+H = C2H5+C2H5                          3.10E+27  -3.59      19059.0  ! =(nC3H7+H) TS3 10 atm
!
 pC4H9+H = C4H81+H2                           1.80E+12   0.00         0.0   ! =(nC3H7+H) TS4
 pC4H9+O = nC3H7+CH2O                         9.60E+13   0.00         0.0   ! =(nC3H7+O) TS3 ka+kb
 pC4H9+OH = C4H81+H2O                         2.40E+13   0.00         0.0   ! =(nC3H7+OH) TS3
 pC4H9+O2 = C4H81+HO2                         2.70E+11   0.00         0.0   ! BB75
 pC4H9+HO2 = nC3H7+OH+CH2O                    2.40E+13   0.00         0.0   ! =(nC3H7+HO2) TS3 ?
 pC4H9+HCO = C4H10+CO                         9.00E+13   0.00         0.0   ! =(nC3H7+HCO) TS3
 pC4H9+CH3 = C4H81+CH4                        1.10E+13   0.00         0.0   ! =(nC3H7+CH3) TS3
!
! Reactions of 2-butyl
!
 C3H6+CH3(+M) = sC4H9(+M)                     1.70E+11   0.00      7403.6   ! TS5 600cm-1
                                       LOW  / 2.31E+28  -4.27      1831.0   /
                                       TROE / 0.565 60000.0   534.2  3007.2 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 sC4H9+H(+M) = C4H10(+M)                      2.40E+13   0.00         0.0   ! =(iC3H7+H) TS3 600 cm-1
                                       LOW  / 1.70E+58 -12.08     11263.7   /
                                       TROE / 0.649  1213.1  1213.1 13369.7 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!sC4H9+H = C2H5+C2H5                          5.90E+23  -2.81     10009.0   ! =(iC3H7+H) TS3 0.1 atm
 sC4H9+H = C2H5+C2H5                          1.40E+28  -3.94     15916.0   ! =(iC3H7+H) TS3 1 atm
!sC4H9+H = C2H5+C2H5                          4.00E+24  -2.83     17542.0   ! =(iC3H7+H) TS3 10 atm
!
 sC4H9+H = C4H81+H2                           3.20E+12   0.00         0.0   ! =(iC3H7+H) TS3
 sC4H9+H = C4H82+H2                           2.10E+12   0.00         0.0   ! =(iC3H7+H)*2/3 TS3
 sC4H9+O = CH3CHO+C2H5                        9.60E+13   0.00         0.0   ! =(iC3H7+O) TS3 ka+kb
 sC4H9+OH = C4H81+H2O                         2.40E+13   0.00         0.0   ! =(iC3H7+OH) TS3
 sC4H9+OH = C4H82+H2O                         1.60E+13   0.00         0.0   ! =(iC3H7+OH)*2/3 TS3
 sC4H9+O2 = C4H81+HO2                         5.10E+10   0.00         0.0   ! BB75
 sC4H9+O2 = C4H82+HO2                         1.20E+11   0.00         0.0   ! BB75
 sC4H9+HO2 = CH3CHO+C2H5+OH                   2.40E+13   0.00         0.0   ! =(iC3H7+HO2) TS3 ?
 sC4H9+HCO = C4H10+CO                         1.20E+14   0.00         0.0   ! =(iC3H7+HCO) TS3
 sC4H9+CH3 = CH4+C4H81                        2.20E+14  -0.68         0.0   ! =(iC3H7+CH3) TS3
 sC4H9+CH3 = CH4+C4H82                        1.50E+14  -0.68         0.0   ! =(iC3H7+CH3)*2/3 TS3
!
! Reactions of i-butyl
!
 C3H6+CH3(+M) = iC4H9(+M)                     9.60E+10   0.00      8003.6   ! TS5 600cm-1
                                       LOW  / 1.30E+28  -4.27      2431.1   /
                                       TROE / 0.565 60000.0   534.2  3007.2 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 iC4H9+H(+M) = iC4H10(+M)                     3.60E+13   0.00         0.0   ! TS4, 600cm-1
                                       LOW  / 3.27E+56 -11.74      6430.8   /
                                       TROE / 0.506  1266.6  1266.6 50000.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!iC4H9+H = iC3H7+CH3                          1.10E+32  -5.04     16760.0   ! TS4 eq 0.1 atm
 iC4H9+H = iC3H7+CH3                          1.90E+35  -5.83     22470.0   ! TS4 eq 1 atm
!iC4H9+H = iC3H7+CH3                          1.35E+40  -7.02     31000.0   ! TS4 eq 10 atm
!
 iC4H9+H = iC4H8+H2                           9.00E+11   0.00         0.0   ! TS4
 iC4H9+O = iC3H7+CH2O                         9.60E+13   0.00         0.0   ! TS4
 iC4H9+OH = iC4H8+H2O                         1.20E+13   0.00         0.0   ! TS4
 iC4H9+O2 = iC4H8+HO2                         2.40E+10   0.00         0.0   ! TS4
 iC4H9+HO2 = iC3H7+CH2O+OH                    2.41E+13   0.00         0.0   ! TS4 ?
 iC4H9+HCO = iC4H10+CO                        3.60E+13   0.00         0.0   ! TS4
 iC4H9+CH3 = iC4H8+CH4                        6.00E+12  -0.32         0.0   ! TS4
!
! Reactions of t-butyl
!
 tC4H9(+M) = iC4H8+H(+M)                      8.30E+13   0.00     38150.4   ! TS4 600cm-1
                                       LOW  / 1.90E+41  -7.36     36631.7   /
                                       TROE / 0.293   649.0 60000.0  3425.9 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 tC4H9+H(+M) = iC4H10(+M)                     2.40E+13   0.00         0.0   ! TS4, 600cm-1
                                       LOW  / 1.47E+61 -12.94      8000.0   /
                                       TROE / 0.000  1456.4  1000.0 10000.5 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!tC4H9+H = iC3H7+CH3                          2.80E+34  -5.69     20500.0   ! TS4 eq 0.1 atm
 tC4H9+H = iC3H7+CH3                          2.60E+36  -6.12     25640.0   ! TS4 eq 1 atm
!tC4H9+H = iC3H7+CH3                          2.60E+36  -6.12     25640.0   ! TS4 eq 10 atm
!
 tC4H9+H = iC4H8+H2                           5.42E+12   0.00         0.0   ! TS4
 tC4H9+O = iC4H8+OH                           1.80E+14   0.00         0.0   ! TS4
 tC4H9+O = CH3COCH3+CH3                       1.80E+14   0.00         0.0   ! TS4
 tC4H9+OH = iC4H8+H2O                         1.80E+13   0.00         0.0   ! TS4
 tC4H9+O2 = iC4H8+HO2                         4.80E+11   0.00         0.0   ! TS4
 tC4H9+HO2 = CH3+CH3COCH3+OH                  1.80E+13   0.00         0.0   ! TS4
 tC4H9+HCO = iC4H10+CO                        6.00E+13   0.00         0.0   ! TS4
 tC4H9+CH3 = iC4H8+CH4                        3.80E+15  -1.00         0.0   ! TS4
!
 CH3COCH3+H = H2+CH2CO+CH3                    1.30E+06   2.54      6756.0   ! =C3H8+H
 CH3COCH3+O = OH+CH2CO+CH3                    1.90E+05   2.68      3716.0   ! =C3H8+O
 CH3COCH3+OH = H2O+CH2CO+CH3                  3.20E+07   1.80       934.0   ! =C3H8+OH
 CH3+CH3CO = CH3COCH3                         4.00E+15  -0.80         0.0   ! TS1 kinf
!
! Reactions of n-butane
!
! kinf : TS3 recommendation
! ko: scaled such that Pr(nC3H7+CH3) = Pr(C2H5+CH3)  500cm-1
! Fc: assumed equal to Fc(C2H5+CH3)
!
 nC3H7+CH3(+M) = C4H10(+M)                    1.93E+14  -0.32         0.0   !
                                       LOW  / 2.68E+61 -13.24      6000.0   /
                                       TROE / 1.000  1000.0  1433.9  5328.8 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
! kinf: -0.5 T power = CH3+C2H5, kinf(300K) = TS1 recommendation
! ko: scaled such that Pr(C2H5+C2H5) = Pr(CH3+C2H5) at (T,P), 500 cm-1
! Fc: assumed equal to Fc(CH3+C2H5)
!
 C2H5+C2H5(+M) = C4H10(+M)                    1.88E+14  -0.50         0.0   !
                                       LOW  / 2.61E+61 -13.42      6000.0   /
                                       TROE / 1.000  1000.0  1433.9  5328.8 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C4H10+H = pC4H9+H2                           9.20E+05   2.54      6756.0   ! =(C3H8+H scaled to BBW at 753K)
 C4H10+H = sC4H9+H2                           2.40E+06   2.40      4471.0   ! =(C3H8+H scaled to BBW at 753K)
 C4H10+O = pC4H9+OH                           4.90E+06   2.40      5500.0   ! 86/CW
 C4H10+O = sC4H9+OH                           4.30E+05   2.60      2580.0   ! 86/CW
 C4H10+OH = pC4H9+H2O                         3.30E+07   1.80       954.0   ! 91Coh
 C4H10+OH = sC4H9+H2O                         5.40E+06   2.00      -596.0   ! 91Coh
 C4H10+O2 = pC4H9+HO2                         4.00E+13   0.00     50930.0   ! =(C3H8+O2) TS3
 C4H10+O2 = sC4H9+HO2                         8.00E+13   0.00     47590.0   ! =(C3H8+O2)*2 TS3
 C4H10+HO2 = pC4H9+H2O2                       4.76E+04   2.55     16490.0   ! =(C3H8+HO2) TS3
 C4H10+HO2 = sC4H9+H2O2                       1.90E+04   2.60     13910.0   ! =(C3H8+HO2)*2 TS3
 C4H10+CH3 = pC4H9+CH4                        9.03E-01   3.65      7153.0   ! =(C3H8+CH3) TS3 see notes
 C4H10+CH3 = sC4H9+CH4                        3.00E+00   3.46      5480.0   ! =(C3H8+CH3)*2 TS3 see notes
!
! Reactions of i-butane
!
 iC3H7+CH3(+M) = iC4H10(+M)                   1.40E+15  -0.68         0.0   ! TS4, 600cm-1
                                       LOW  / 4.16E+61 -13.33      3903.4   /
                                       TROE / 0.931 60000.0  1265.3  5469.8 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/        
 iC4H10+H = iC4H9+H2                          1.80E+06   2.54      6760.0   ! TS4
 iC4H10+H = tC4H9+H2                          6.00E+05   2.40      2580.0   ! TS4
 iC4H10+O = iC4H9+OH                          4.30E+05   2.50      3640.0   ! TS4
 iC4H10+O = tC4H9+OH                          1.57E+05   2.50      1110.0   ! TS4
 iC4H10+OH = iC4H9+H2O                        2.30E+08   1.53      775.0    ! TS4
 iC4H10+OH = tC4H9+H2O                        5.73E+10   0.51        64.0   ! TS4
 iC4H10+HO2 = iC4H9+H2O2                      3.00E+04   2.55     15500.0   ! TS4
 iC4H10+HO2 = tC4H9+H2O2                      3.60E+03   2.55     10500.0   ! TS4
 iC4H10+O2 = iC4H9+HO2                        4.00E+13   0.00     50900.0   ! TS4
 iC4H10+O2 = tC4H9+HO2                        4.00E+13   0.00     44000.0   ! TS4
 iC4H10+CH3 = iC4H9+CH4                       1.36E+00   3.65      7150.0   ! TS4 
 iC4H10+CH3 = tC4H9+CH4                       9.00E-01   3.46      4600.0   ! TS4
!
! Reactions of C6H2
!
!C6H2 + H = C6H3                              4.30E+45 -10.15    13250.0    !   20 Torr 97WAN/FRE
!C6H2 + H = C6H3                              2.60E+46 -10.15    15500.0    !   90 Torr 97WAN/FRE
 C6H2 + H = C6H3                              1.10E+30  -4.92    10800.0    !  760 Torr 97WAN/FRE
!
! Reactions of C6H3
!
!C6H3 + H = C4H2 + C2H2                       2.40E+19  -1.60     2800.0    !   20 Torr RRKM 97WAN/FRE
!C6H3 + H = C4H2 + C2H2                       3.70E+22  -2.50     5140.0    !   90 Torr RRKM 97WAN/FRE
 C6H3 + H = C4H2 + C2H2                       2.80E+23  -2.55    10780.0    !  760 Torr RRKM 97WAN/FRE
!
!C6H3 + H = l-C6H4                            4.20E+44 -10.27     7890.0    !   20 Torr RRKM 97WAN/FRE
!C6H3 + H = l-C6H4                            5.30E+46 -10.68     9270.0    !   90 Torr RRKM 97WAN/FRE
 C6H3 + H = l-C6H4                            3.40E+43  -9.01    12120.0    !  760 Torr RRKM 97WAN/FRE
!
 C6H3+H = C6H2+H2                             3.00E+13   0.00        0.0    !97WAN/FRE
 C6H3+OH = C6H2+H2O                           4.00E+12   0.00        0.0    !97WAN/FRE
!
!l-C6H4 + H = C6H5                            4.40E+74 -19.09    25800.     !   10 Torr RRKM 97WAN/FRE
!l-C6H4 + H = C6H5                            3.60E+77 -20.09    28100.     !   20 Torr RRKM 97WAN/FRE
!l-C6H4 + H = C6H5                            4.70E+78 -20.10    29500.     !   90 Torr RRKM 97WAN/FRE
 l-C6H4 + H = C6H5                            1.70E+78 -19.72    31400.     !  760 Torr RRKM 97WAN/FRE
!l-C6H4 + H = C6H5                            3.90E+69 -16.63    34100.     ! 7600 Torr RRKM 97WAN/FRE
! 
!l-C6H4 + H = o-C6H4+ H                       8.70E+45  -9.61    22300.     !   10 Torr RRKM 97WAN/FRE
!l-C6H4 + H = o-C6H4+ H                       2.20E+47  -9.98    24000.     !   20 Torr RRKM 97WAN/FRE
!l-C6H4 + H = o-C6H4+ H                       9.70E+48 -10.37    27000.     !   90 Torr RRKM 97WAN/FRE
 l-C6H4 + H = o-C6H4+ H                       1.40E+54 -11.70    34500.     !  760 Torr RRKM 97WAN/FRE
!l-C6H4 + H = o-C6H4+ H                       5.70E+55 -11.98    41900.     ! 7600 Torr RRKM 97WAN/FRE
!
 l-C6H4 + H = C6H3 + H2                       1.330E+06   2.530    9240.00  !  = C4H4+H
 l-C6H4 + OH = C6H3 + H2O                     3.100E+06   2.000     430.00  !  see notes
!
!C4H2 + C2H2 = o-C6H4                         1.40E+07   1.453    25407     ! kinf 300-2500 K, 83 kcal/mol, rot
 C4H2 + C2H2 = o-C6H4                         5.00E+78  -19.31    67920.    ! 5 atm
!
 o-C6H4 + OH = CO + C5H5                      1.00E+13    0.00        0.    ! Estimated
!
!*****************************************************************************
!
!  The following is the ring destruction sybmodel
!
!*****************************************************************************
!
! Reactions of toluene (C6H5CH3)
!
 C6H5 + CH3 = C6H5CH3			      1.380E+13   0.000      46.0   !  99-TOK-LIN (added 5/2)	 
 C6H5CH3 + O2 = C6H5CH2 + HO2                 3.000E+14   0.000   42992.00  !  98-ENG-FIT
 C6H5CH3 + OH = C6H5CH2 + H2O                 1.620E+13   0.000    2770.00  ! 05-VAS-DAV
 C6H5CH3 + OH = C6H4CH3 + H2O                 1.333E+08   1.420    1450.00  !  5/6 * c6h6+oh
 C6H5CH3 + H = C6H5CH2 + H2                   1.259E+14   0.000    8359.00  !  90-HIP-REI
 C6H5CH3 + H = C6H6 + CH3                     1.930E+06   2.170    4163.00  !  01-TOK-LIN (added 5/2)
 C6H5CH3 + O = OC6H4CH3 + H                   2.600E+13   0.000    3795.00  !  82-NIC-GUM
 C6H5CH3 + CH3 = C6H5CH2 + CH4                3.160E+11   0.000    9500.00  !  76-KER-PAR
 C6H5CH3 + C6H5 = C6H5CH2 + C6H6              2.103E+12   0.000    4400.00  !  88-FAH-STE
 C6H5CH3 + HO2 = C6H5CH2 + H2O2               3.975E+11   0.000   14069.00  ! 94-BAULCH
 C6H5CH3 + HO2 = C6H4CH3 + H2O2               5.420E+12   0.000   28810.00  ! 94-BAULCH
!
! Reactions of benzyl radical (C6H5CH2)
!
 C6H5CH2 + H (+M) = C6H5CH3 (+M)              1.000E+14   0.000       0.00  !  kinf (assumed, reduced from 2.6E14)
                                       LOW   /1.100E+103 -24.63   14590.00  / !  k0 (RRKM)
                                      TROE   /0.431    383.   152.   4730.  /
                                   H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/
 C6H5CH2 + H = C6H5 + CH3                     1.500E+66 -13.940   64580.00  !  RRKM at 1 atm, 
 C6H5CH2 + O = C6H5CHO + H                    4.000E+14   0.000       0.00  ! (90a-HIP-REI)
 C6H5CH2 + OH  = C6H5CH2OH                    2.000E+13   0.000       0.00  !  90a-HIP-REI
 C6H5CH2 + HO2 = C6H5CHO + H + OH             5.000E+12   0.000       0.00  !  90a-HIP-REI
 C6H5CH2 + C6H5OH = C6H5CH3 + C6H5O           1.050E+11   0.000    9500.00  !  92-EMD-BRE, est.
 C6H5CH2 + HOC6H4CH3 = C6H5CH3 + OC6H4CH3     1.050E+11   0.000    9500.00  !  92-EMD-BRE, est.
!
! Reactions of benzyl alcohol (C6H5CH2OH)
!
 C6H5CH2OH + OH = C6H5CHO + H2O + H           5.000E+12   0.000       0.00  !  90a-HIP-REI
 C6H5CH2OH + H = C6H5CHO + H2 + H             8.000E+13   0.000    8235.00  !  92-EMD-BRE, est.
 C6H5CH2OH + H = C6H6 + CH2OH                 1.200E+13   0.000    5148.00  !  92-EMD-BRE, est.
 C6H5CH2OH + C6H5 = C6H5CHO + C6H6 + H        1.400E+12   0.000    4400.00  !  92-EMD-BRE, est.
!
! Reactions of benzaldehyde (C6H5CHO)
!
 C6H5 + HCO = C6H5CHO                         1.000E+13   0.000       0.00  ! Est.
 C6H5CHO = C6H5CO + H                         3.980E+15   0.000   86900.00  !  86-GRE,Eamodified
 C6H5CHO + O2 = C6H5CO + HO2                  1.020E+13   0.000   38950.00  !  est. Tsang
 C6H5CHO + OH = C6H5CO + H2O                  2.350E+10    0.730  -1110.00  ! est.,(CH3CHO+OH)
 C6H5CHO + H = C6H5CO + H2                    4.100E+09    1.160   2400.00  ! est.,(CH3CHO+H).
 C6H5CHO + H = C6H6 + HCO                     1.930E+06   2.170    4163.00  ! est.,(C6H5CH3 + H = C6H6 + CH3)
 C6H5CHO + O = C6H5CO + OH                    5.800E+12    0.000   1800.00  ! est.,(CH3CHO+O)
 C6H5CHO + C6H5CH2 = C6H5CO + C6H5CH3         2.000E-06    5.600   2460.00  ! est.(C6H5CHO + CH3)
 C6H5CHO + CH3 = C6H5CO + CH4                 2.000E-06    5.600   2460.00  ! est.(CH3CHO+CH3).
 C6H5CHO + C6H5 = C6H5CO + C6H6               2.103E+12   0.000    4400.00  ! est.(C6H5CH3+C6H5)
 C6H5CO + H2O2 = C6H5CHO + HO2                1.800E+11    0.000   8226.00  ! est.(CH3CO+H2O2 = CH3CHO+HO2)
!
! Reactions of cresoxy radical (OC6H4CH3)
!
 OC6H4CH3 + H (+M) = HOC6H4CH3 (+M)           1.000E+14   0.000       0.00  !  Estimated (C6H5O + H -> C6H5OH) / 2.5
                                       LOW  / 4.000E+93 -21.840   13880.0   /  !  96-DAV-WAN, 97-WAN-FRE
                                       TROE / 0.043 304.2 60000. 5896.4     /
                                   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/
 OC6H4CH3 + H = C6H5O + CH3                   1.930E+06   2.170    4163.00  ! est, =(C6H5CH3+H=C6H6+CH3)
 OC6H4CH3 + O = C6H4O2 + CH3                  8.000E+13   0.000       0.00  !  est.
!
! Reactions of cresol (HOC6H5CH3)
!
 HOC6H4CH3 + OH = OC6H4CH3 + H2O              6.000E+12   0.000       0.00  !  88-HE-MAL
 HOC6H4CH3 + H = OC6H4CH3 + H2                1.150E+14   0.000   12400.00  !  88-HE-MAL
 HOC6H4CH3 + H = C6H5CH3 + OH                 2.210E+13   0.000    7910.00  !  88-HE-MAL
 HOC6H4CH3 + H = C6H5OH + CH3                 1.200E+13   0.000    5148.00  !  92-EMD-BRE, est.
!
! Reaction of benzoyl radical (C6H5CO)
!
 C6H5CO = C6H5 + CO                           5.270E+14   0.000   29013.00  !  00-NAM-LIN (rep 5/1)
!
! Reactions of benzene (C6H6)
!
 C6H5 + H (+M) = C6H6 (+M)                    1.000E+14   0.000       0.00  !
                                       LOW  / 6.600E+75 -16.300    7000.00  /!  (HW, RRKM)
                                       TROE / 1.0 0.1 584.9 6113.           /
                                   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/
!
 C6H6 + OH = C6H5 + H2O                       3.985E+05   2.286    1058.00  ! Fit,AJ
 C6H6 + OH = C6H5OH + H                       1.300E+13   0.000   10600.00  !  92BAU/COB
 C6H6 + O = C6H5O + H                         1.390E+13   0.000    4910.00  !  50% split 82-NIC-GUM
 C6H6 + O = C5H5 + HCO                        1.390E+13   0.000    4530.00  !  50% split based on McKinnon
 C6H5 + H2 = C6H6 + H                         5.707E+04   2.430    6273.00  !  97-MEB-LIN
!
! Reactions of phenyl radical (C6H5)
!
 C6H5 (+M) = o-C6H4 + H (+M)                  4.300E+12   0.616    77313.   ! RRKM 00-HAI-FRE   
                                         LOW/ 1.000E+84 -18.866    90064    /
                                         TROE/ 0.902, 696., 358., 3856.     /    
                                   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/
! 
 C6H5 + H = o-C6H4 + H2                       2.000E+11   1.100   24500.00  ! 01-MEB-LIN 1 atm
 C6H5 + O2 = C6H5O + O                        2.600E+13   0.000    6120.00  !  94-FRA-HER
 C6H5 + O2 = C6H4O2 + H                       3.000E+13   0.000    8980.00  !  94-FRA-HER
 C6H5 + O = C5H5 + CO                         1.000E+14   0.000       0.00  !  94-FRA-HER
 C6H5 + OH = C6H5O + H                        3.000E+13   0.000       0.00  !  Est.
 C6H5 + HO2 = C6H5O + OH                      3.000E+13   0.000       0.00  !  Est.
 C6H5 + HO2 = C6H6 + O2                       1.000E+12   0.000       0.00  !  Estimated, 10/01
 C6H5 + CH4 = C6H6 + CH3                      3.890E-03   4.570    5256.00  !  99-TOK-LIN (added 5/1)
 C6H5 + C2H6 = C6H6 + C2H5                    2.100E+11   0.000    4443.00  !  01-PAR-LIN (added 5/2) 
 C6H5 + CH2O = C6H6 + HCO                     8.550E+04    2.190     38.00  !  00-CHO-LIN (added 5/1)
!
!C6H5 + C6H5 = BIPHENYL                       3.800E+31  -5.750    7950.00  !  97-WAN-FRE,  20 torr
!C6H5 + C6H5 = BIPHENYL                       6.100E+25  -4.000    5590.00  !  97-WAN-FRE,  90 torr
!C6H5 + C6H5 = BIPHENYL                       2.000E+19  -2.050    2900.00  !  97-WAN-FRE, 760 torr
!C6H6 + C6H5 = BIPHENYL+H                     5.600E+12  -0.074    7550.00  !  97-WAN-FRE,  20 torr
!C6H6 + C6H5 = BIPHENYL+H                     1.500E+14  -0.450    8915.00  !  97-WAN-FRE,  90 torr
!C6H6 + C6H5 = BIPHENYL+H                     1.100E+23  -2.920   15890.00  !  97-WAN-FRE, 760 torr
!
! Reactions of benzoquinone (p-C6H4O2)
!
 C6H4O2 = C5H4O + CO                          7.400E+11   0.000   59000.00  !  94-FRA-HER
 C6H4O2 + H =  CO + C5H5O(1,3)                4.300E+09   1.450    3900.00  !  est. HW k = kinf[C6H6 + H]
 C6H4O2 + O = 2CO + C2H2 + CH2CO              3.000E+13   0.000    5000.00  !  est. HW, ??
!
! Reactions of phenoxy radical (C6H5O)
!
 C6H5O + H = C5H5 + HCO	                      1.000E+13   0.000   12000.00  ! added 9/25
 C6H5O + H = C5H6 + CO	                      5.000E+13   0.000       0.00  ! added 9/25
 C6H5O = CO + C5H5                            3.760E+54 -12.060   72800.00  ! DAVIS, RRKM 1 atm (Ea reduced by 1.5 kcal/mol = change in hf,ch65O)
 C6H5O + O = C6H4O2 + H                       2.600E+10   0.470     795.00  ! MEB-LIN-95 (added 9/23)
!
! Reactions of phenol (C6H5OH)
!
 C6H5OH = C5H6 + CO                           1.000E12    0.000   60808.00  ! 98-HOR-FRA (added 9/25)
 C6H5OH + OH = C6H5O + H2O                    2.950E+06   2.000   -1312.00  !  90-KNI-KOC
 C6H5OH + H = C6H5O + H2                      1.150E+14   0.000   12398.00  !  88-HE-MAL
 C6H5OH + O = C6H5O + OH                      2.810E+13   0.000    7352.00  !  92-EMD-BRE, est. as 1/6 of CH3C6H4CH3 + O from 82-NIC-GUM
 C6H5OH + C2H3 = C6H5O + C2H4                 6.000E+12   0.000       0.00  !  92-EMD-BRE, est. from phenol + OH
 C6H5OH + nC4H5 = C6H5O + C4H6                6.000E+12   0.000       0.00  !  92-EMD-BRE, est. from phenol + OH
 C6H5OH + C6H5 = C6H5O + C6H6                 4.910E+12   0.000    4400.00  !  88-FAH-STE
!
! Reactions of cyclopentadiene (C5H6)
!
 C5H6 + H = C2H2 + aC3H5                      7.740E+36  -6.180   32890.00  !  98-ZHO-BOZ
 C5H6 + H = lC5H7                             8.270E+126 -32.30   82348.00  !  02-MOS-LIN
 C5H6 + H = C5H5 + H2                         3.030E+08   1.710    5590.00  !  02-MOS-LIN
 C5H6 + O = C5H5 + OH                         4.770E+04   2.710    1106.00  !  98-ZHO-BOZ est.
 C5H6 + O = C5H5O(1,3) + H                    8.910E+12  -0.150     590.00  !  98-ZHO-BOZ, C5H5O1_1
   DUPLICATE
 C5H6 + O = C5H5O(1,3) + H                    5.600E+12  -0.060     200.00  !  98-ZHO-BOZ, C5H5O1_2
   DUPLICATE
 C5H6 + O = nC4H5 + CO + H                    8.700E+51 -11.090   33240.00  !  98-ZHO-BOZ
 C5H6 + OH = C5H5 + H2O                       3.080E+06   2.000       0.00  !  98-ZHO-BOZ est.
 C5H6 + HO2 = C5H5 + H2O2                     1.100E+04   2.600   12900.00  !  98-ZHO-BOZ est.
 C5H6 + O2 = C5H5 + HO2                       4.000E+13   0.000   37150.00  !  98-ZHO-BOZ est.
 C5H6 + HCO = C5H5 + CH2O                     1.080E+08   1.900   16000.00  !  98-ZHO-BOZ est.
 C5H6 + CH3 = C5H5 + CH4                      0.180E+00   4.000       0.00  !  98-ZHO-BOZ est.
 C5H5 + H (+M)= C5H6 (+M)                     1.000E+14   0.000       0.00  !  92-EMD-BRE, est., 94-FRA-HER
                                       LOW  / 4.400E+80 -18.280    12994.0  /  !96-DAV-WAN, 97-WAN-FRE
                                       TROE / 0.068 400.7 4135.8 5501.9     /
                                   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/                                             
!
! Reactions of cyclopentadienyl radical (C5H5)
!
 C5H5 + O2 = C5H5O(2,4) + O                   7.780E+15  -0.730   48740.00  ! 10/18
 C5H5 + O = C5H5O(2,4)                        1.120E-12   5.870  -17310.00  ! 10/18
 C5H5 + O = C5H4O + H                         5.810E+13  -0.020      20.00  ! 98-ZHO-BOZ
 C5H5 + O = nC4H5 + CO                        3.200E+13  -0.17      440.00  ! ZHO-BOZ-98 added 10/08
 C5H5 + OH = C5H4OH + H                       3.510E+57 -12.180   48350.00  ! 98-ZHO-BOZ
 C5H5 + OH = C5H5O(2,4) + H                   1.360E+51 -10.460   57100.00  ! 10/18
 C5H5 + HO2 = C5H5O(2,4) + OH                 6.270E+29  -4.690   11650.00  ! 10/18
 C5H5 + OH = C5H5OH                           6.490E+14  -0.850   -2730.00  ! 98-ZHO-BOZ, C5H5OH
   DUPLICATE
 C5H5 + OH = C5H5OH                           1.150E+43  -8.760   18730.00  ! 98-ZHO-BOZ, 1-C5H5OH
   DUPLICATE
 C5H5 + OH = C5H5OH                           1.060E+59 -13.080   33450.00  ! 98-ZHO-BOZ, 2-C5H5OH
   DUPLICATE
 C5H5 + O2 = C5H4O + OH                       1.800E+12   0.080   18000.00  ! RRKM 1 atm
!C5H5 + C5H5 = C10H8 + 2H                     6.430E+12   0.000    4000.00  ! 98-KER-KIE (added 5/12)
!
! Reactions of cyclopentadienols (1,3-, 2,4- and 1,4-C5H5OH)
!
 C5H5OH + H = C5H5O(2,4) + H2                 1.150E+14   0.000   15400.00  ! as C6H5OH + H = C6H5O + H2 + 3 kcal/mol E barrier
 C5H5OH + H = C5H4OH + H2                     1.200E+05   2.500    1492.00  ! est. C5H6 + H = C5H5 + H2
 C5H5OH + OH = C5H5O(2,4) + H2O               6.000E+12   0.000       0.00  ! as C6H5OH + OH = C6H5O + H2O
 C5H5OH + OH = C5H4OH + H2O                   3.080E+06   2.000       0.00  ! est. C5H6 + OH = C5H5 + H2O
 C5H5O(2,4) + H = C5H5OH                      1.000E+14   0.000       0.00  ! est. HW
!
! Reactions of C5H5O(2,4)
!
 C5H5O(2,4) = C5H4O + H                       2.000E+13   0.000   30000.00  ! (est. HW)
 C5H5O(2,4) + O2 = C5H4O + HO2                1.000E+11   0.000       0.00  ! (est. HW)
!
! Reactions of C5H5O(1,3)
!
 C5H4O + H = C5H5O(1,3)                       2.000E+13   0.000    2000.00  ! Est. HW, see notes
 C5H5O(1,3) =  c-C4H5 + CO                    1.000E+12   0.000   36000.00  ! Est. (very rough) from C6H5O
 C5H5O(1,3) + O2 = C5H4O + HO2                1.000E+11   0.000       0.00  ! Est. HW
!
! Reactions of cyclopentadienone (C5H4O)
!
 C5H4OH = C5H4O + H                           2.100E+13   0.000   48000.00  ! Est. EBG
 C5H4O = 2C2H2+ CO                            6.200E+41  -7.870   98700.00  ! RRKM (10/18)
!
 C5H4O + H = CO + c-C4H5                      4.300E+09   1.450    3900.00  ! Est. HW = C6H6 + H kinf, possiblly too large
 C5H4O + O = CO + HCO + C3H3                  6.200E+08   1.450    -858.00  ! Est. HW = C4H6 + O
!
! Ractions of c-C4H5
!
 c-C4H5 + H = C4H6                            1.000E+13   0.000       0.00  ! Est. HW, fast c-C4H6 -> C4H6 - Lifshitz
 c-C4H5 + H = C2H4 + C2H2                     1.000E+13   0.000       0.00  ! Est. HW
 c-C4H5 + O = CH2CHO + C2H2                   1.000E+14   0.000       0.00  ! Est. HW
 c-C4H5 + O2 = CH2CHO + CH2CO                 4.800E+11   0.000   19000.00  ! Est. HW, C3H5+O2
 c-C4H5 = C4H4 + H                            3.000E+12   0.000   52000.00  ! Est. HW
 c-C4H5 = C2H3 + C2H2                         2.000E+12   0.000   58000.00  ! Est. HW
!
! Reactions of 1,4-pentadien-3-yl (l-C5H7)
!
 aC3H5 + C2H3 = lC5H7 + H                     1.000E+13   0.000       0.00  ! Est.
 lC5H7 + O = C2H3CHO + C2H3                   5.000E+13   0.000       0.00  ! Est.
 lC5H7 + OH = C2H3CHO + C2H4                  2.000E+13   0.000       0.00  ! Est.             
!
! Reactions of 1-penten-X-yl radicals
!
!PXC5H9 = C5H8-13+H                                2.48E+53  -12.30    52000.0   ! =(C4H7)
!PXC5H9 = C5H8-13+H                                1.85E+48  -10.50    51770.0   ! =(C4H7)10 atm
!
 PXC5H9+H(+M) = C5H10(+M)                       3.60E+13    0.00        0.0   ! =nC3H7+H
                                       LOW  / 3.01E+48   -9.32     5833.6   /
                                       TROE / 0.498  1314.0  1314.0 50000.0 /
                           H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC5H9+H = CH3+C4H7                            2.00E+21   -2.00    11000.0   !Estimated
!PXC5H9+H = C5H8-13+H2                             1.80E+12    0.00        0.0   != nC3H7+H
!PXC5H9+O2 = C5H8-13+HO2                           1.00E+11    0.00        0.0   !Estimated
 PXC5H9+HO2 = CH2O+OH+C4H7                      2.40E+13    0.00        0.0   != nC3H7+HO2
 PXC5H9+HCO = C5H10+CO                          6.00E+13    0.00        0.0   != nC3H7+HCO
!PXC5H9+CH3 = C5H8-13+CH4                          1.10E+13    0.00        0.0   != nC3H7+CH3
!
 PXC5H9 = C2H4+aC3H5                            1.04E+12   -0.37   25124.00   ! 08/TSAwip  !BS 
 cC5H9 = PXC5H9                                 2.15E+12   -0.30   33721.00   ! 08/TSAwip  !BS
 cC5H9 = cC5H8+H                                6.53E+11   -0.55   33140.00   ! 08/TSAwip  !BS
 SXC5H9 = C5H8-13+H                             3.50E+08   -1.35   32487.00   ! 08/TSAwip  !BS 
 SXC5H9 = C3H6+C2H3                             1.39E+12   -0.58   37797.00   ! 08/TSAwip  !BS
 SXC5H9 = C5H8-14+H                             5.69E-09   -1.17   37097.00   ! 08/TSAwip  !BS   
 SXC5H9 = CH2C4H7                              5.52E+08   -1.42   14609.00   ! 08/TSAwip  !BS   
 CH2C4H7 = C4H6+CH3                            4.60E+11   -0.41   31254.00   ! 08/TSAwip  !BS
 SAXC5H9 = CH3+C4H6                             5.70E+12   -0.10   35891.00   ! 08/TSAwip  !BS 
!
!
! Reactions of C5H10
!
! C5H10+H(+M) = PXC5H11(+M)                    1.33E+13    0.00     3260.7   ! =(C3H6+H) !BS
!				       LOW  / 6.26E+38   -6.66     7000.0   /
!				       TROE / 1.000  1000.0  1310.0 48097.0 /
!			   H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C5H10+H(+M) = SXC5H11(+M)                    1.33E+13    0.00     1559.8   ! =(C3H6+H) !BS
!                                      LOW  / 8.70E+42   -7.50   4721.8      /
!                                      TROE / 1.000  1000.0   645.4  6844.3 /
!                          H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C5H10 = C2H5+aC3H5                           7.24E+22   -1.94    75470.0   ! 08/TSAwip  !BS
 C5H10 = C3H6+C2H4                            1.62E+06    1.81    53454.0   ! 08/TSAwip  !BS
 C5H10+H = C2H4+nC3H7                         8.00E+21   -2.39    11180.0   ! =(C3H6+H)
 C5H10+H = C3H6+C2H5                          1.60E+22   -2.39    11180.0   ! Estimated
 C5H10+H = PXC5H9+H2                          6.50E+05    2.54     6756.0   ! =(C4H81+H)
 C5H10+H = SXC5H9+H2                          1.30E+06    2.40     4471.0   ! =(C3H8+H) !BS
 C5H10+H = SAXC5H9+H2                         5.40E+04    2.50    -1900.0   ! 05/TO-BU  !BS
 C5H10+O = pC4H9+HCO                          3.30E+08    1.45     -402.0   !=(C4H81+O)
 C5H10+O = PXC5H9+OH                            1.50E+13    0.00     5760.0   !(C4H81+O)
 duplicate
 C5H10+O = PXC5H9+OH                            2.60E+13    0.00     4470.0   !(C4H81+O)
 duplicate
 C5H10+OH = PXC5H9+H2O                          7.00E+02    2.66      527.0   !=(C3H8+OH)
 C5H10+O2 = PXC5H9+HO2                          2.00E+13    0.00    50930.0   !=(C3H8+O2)
 C5H10+HO2 = PXC5H9+H2O2                        1.00E+12    0.00    14340.0   !=(C4H81+HO2)
 C5H10+CH3 = PXC5H9+CH4                         4.50E-01    3.65     7153.0   !=(C3H8+CH3)
!
! Beta-scission Reactions of pentyl radicals
!
 PXC5H11(+M) = C2H4+nC3H7(+M)                 1.00E+13    0.00    28366.4! 98TSA !BS
                       LOW  / 7.10E-35 15.411  -600.0    /
                       TROE / -5.91  333.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC5H11(+M) = C3H6+C2H5(+M)                  8.00E+12    0.00    27392.8! 98TSA !BS
                       LOW  / 3.70E-33 14.91  -600.0     /
                       TROE / -6.53  333.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC5H11(+M) = C4H81+CH3(+M)                  1.80E+13    0.00    29348.0! 98TSA !BS
                       LOW  / 4.00E-39 16.782  -600.4    /
                       TROE / -7.03  314.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
! Reactions of SXC5H11
!  C3H6+C2H5 = SXC5H11                    3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!
 SXC5H11+H(+M) = NC5H12(+M)                   2.40E+13    0.00      0.0  ! =(iC3H7+H) 
                                       LOW  / 1.70E+58  -12.08  11263.7  /
                                    TROE / 0.649  1213.1  1213.1 13369.7 /
                        H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!SXC5H11+H = nC3H7+C2H5                       5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC5H11+H = nC3H7+C2H5                       1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC5H11+H = nC3H7+C2H5                       4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC5H11+H = C5H10+H2                         3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC5H11+O = CH3CHO+nC3H7                     9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC5H11+OH = C5H10+H2O                       2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC5H11+O2 = C5H10+HO2                       1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC5H11+HO2 = CH3CHO+nC3H7+OH                2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC5H11+HCO = NC5H12+CO                      1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC5H11+CH3 = CH4+C5H10                      2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!
! Reactions of S2XC5H11
!  C4H81+CH3(+M)= S2XC5H11(+M)               1.70E+11    0.00   7403.6  ! =(C3H6+CH3) !BS
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! S2XC5H11+O2 = C5H10+HO2                       1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of PXC5H11
!
! C2H4+nC3H7 = PXC5H11                         3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 PXC5H11+H(+M) = NC5H12(+M)                   3.60E+13    0.00      0.0  ! =(nC3H7+H) 
                                       LOW  / 3.01E+48   -9.32   5833.6  /
                                    TROE / 0.498  1314.0  1314.0 50000.0 /
                        H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!PXC5H11+H = nC3H7+C2H5                       3.40E+18   -1.33    5386.0 ! =(nC3H7+H) 0.1 atm
 PXC5H11+H = nC3H7+C2H5                       3.70E+24   -2.92   12505.0 ! =(nC3H7+H)  1 atm
!PXC5H11+H = nC3H7+C2H5                       3.10E+27   -3.59   19059.0 ! =(nC3H7+H) 10 atm
 PXC5H11+H = C5H10+H2                         1.80E+12    0.00      0.0  ! =(nC3H7+H) 
 PXC5H11+O = pC4H9+CH2O                       9.60E+13    0.00      0.0  ! =(nC3H7+O) 
 PXC5H11+OH = C5H10+H2O                       2.40E+13    0.00      0.0  ! =(nC3H7+OH) 
 PXC5H11+O2 = C5H10+HO2                       9.00E+10    0.00      0.0  ! =(nC3H7+O2)
 PXC5H11+HO2 = pC4H9+OH+CH2O                  2.40E+13    0.00      0.0  ! =(nC3H7+HO2) 
 PXC5H11+HCO = NC5H12+CO                      9.00E+13    0.00      0.0  ! =(nC3H7+HCO) 
 PXC5H11+CH3 = C5H10+CH4                      1.10E+13    0.00      0.0  ! =(nC3H7+CH3) 
!
! Reactions of NC5H12
!
 pC4H9+CH3 = NC5H12                           1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 nC3H7+C2H5 = NC5H12                          1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC5H12+H = PXC5H11+H2                        1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC5H12+H = SXC5H11+H2                        2.60E+06    2.40   4471.0  ! =(C3H8+H)*2
 NC5H12+H = S2XC5H11+H2			      1.30E+06    2.40   4471.0  ! =(C3H8+H)   EDames
 NC5H12+O = PXC5H11+OH                        4.40E+06    2.40   5504.0  ! !B 86/CW 
 NC5H12+O = SXC5H11+OH                        6.20E+05    2.50   2225.0  ! !B 86/CW
 NC5H12+O = S2XC5H11+OH			      3.10E+05    2.50   2225.0  ! !B 86/CW
 NC5H12+OH = PXC5H11+H2O                      2.73E+07    1.81    868.3  ! 09SI/MI
 NC5H12+OH = SXC5H11+H2O                      1.41E+10    0.94    504.7  ! 09SI/MI
 NC5H12+OH = S2XC5H11+H2O		      5.72E+06    1.81  -1015.4  ! 09SI/MI
 NC5H12+O2 = PXC5H11+HO2                      4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC5H12+O2 = SXC5H11+HO2                      8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2 
 NC5H12+O2 = S2XC5H11+HO2		      4.00E+13    0.00  47590.0  ! =(C3H8+O2)  EDames
 NC5H12+HO2 = PXC5H11+H2O2                    4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC5H12+HO2 = SXC5H11+H2O2                    1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 
 NC5H12+HO2 = S2XC5H11+H2O2		      0.95E+04    2.60  13910.0  ! =(C3H8+HO2) EDames
 NC5H12+CH3 = PXC5H11+CH4                     9.03E-01    3.65   7153.0  ! =(C3H8+CH3) 
 NC5H12+CH3 = SXC5H11+CH4                     3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 
 NC5H12+CH3 = S2XC5H11+CH4		      1.50E+00    3.46   5480.0  ! =(C3H8+CH3) EDames
!
! Reactions of 1-hexen-X-yl radicals
!
!PXC6H11 = C6H10-13+H                              2.48E+53  -12.30  52000.0  !=(C4H7)
!PXC6H11 = C6H10-13+H                              1.85E+48  -10.50  51770.0  !=(C4H7) 10 atm
 PXC6H11+H(+M) = C6H12(+M)                      3.60E+13    0.00      0.0  != nC3H7+H
   LOW  / 3.01E+48  -9.32   5833.6      /
   TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC6H11+H = CH3+PXC5H9                           2.00E+21   -2.00  11000.0  !=(C4H7+H)
!PXC6H11+H = C6H10-13+H2                           1.80E+12    0.00      0.0  != nC3H7+H
!PXC6H11+O2 = C6H10-13+HO2                         1.00E+11    0.00      0.0  !=(C4H7+O2)
 PXC6H11+HO2 = CH2O+OH+PXC5H9                   2.40E+13    0.00      0.0  != nC3H7+HO2
 PXC6H11+HCO = C6H12+CO                         6.00E+13    0.00      0.0  != nC3H7+HCO
!PXC6H11+CH3 = C6H10-13+CH4                        1.10E+13    0.00      0.0  != nC3H7+CH3
! Alternative
! C2H4+aC3H5 = PXC5H9                            3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
! 
 cC6H11 = cC6H10+H                              3.34E+11    0.69   33948.0 !08/TSAwip  !BS                                
 cC5H9CH2 = CH2C5H8+H                           7.76E+08    1.11   34616.0 !08/TSAwip  !BS
 SAXC6H11 = C4H6+C2H5                           3.39E+11    0.66   32263.0 !08/TSAwip  !BS
 PXC6H11 = C4H7+C2H4                            3.98E+12    0.12   27572.0 !08/TSAwip  !BS
 SAXC6H11-3 = C5H8-13+CH3                       4.90E+13   -0.21   33346.0 !08/TSAwip  !BS
 SXC6H11 = C3H6+aC3H5                           4.57E+12    0.13   24386.0 !08/TSAwip  !BS
 m1C5H81= aC3H5+C3H6                           5.37E+12    0.12   23947.0 !08/TSAwip  !BS
 cC6H11 = PXC6H11                               6.03E+12    0.07   27983.0 !08/TSAwip  !BS
 PXC6H11 = cC5H9CH2                             9.55E+08    0.36   10704.0 !08/TSAwip  !BS
 CH3cC5H83 = SXC6H11                            7.59E+12    0.15   32940.0 !08/TSAwip  !BS
 CH3cC5H83 = m1C5H81                           3.55E+12    0.15   32404.0 !08/TSAwip  !BS                 
 PXC6H11 = SAXC6H11                             1.55E+02    2.83   15566.0 !08/TSAwip  !BS 
 cC5H9CH2 = CH3cC5H83                           6.61E+01    2.85   21082.0 !08/TSAwip  !BS
 PXC6H11 = SAXC6H11-3                           9.33E+03    2.38   22141.0 !08/TSAwip  !BS
 S2XC6H11 = C6H10-13+H                          3.00E+13    0.00   38000.0 !05/TOU-BU  !BS
!
! Reactions of C6H12
!
! C6H12+H(+M) = PXC6H13(+M)                    1.33E+13    0.00   3260.7  ! =(C3H6+H) !BS 
!                      LOW  / 6.26E+38  -6.66   7000.0      /
!                      TROE / 1.000  1000.0  1310.0 48097.0 /
!   H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C6H12+H(+M) = SXC6H13(+M)                    1.33E+13    0.00   1559.8  ! =(C3H6+H) !BS
!                      LOW  / 8.70E+42  -7.50   4721.8      /
!                      TROE / 1.000  1000.0   645.4  6844.3 /
!   H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C6H12 = aC3H5+nC3H7                          1.07E+23   -2.03  74958.0  ! 08/TSAwip  !BS
 C6H12 = C3H6+C3H6                            7.08E+06    1.65  53752.0  ! 08/TSAwip  !BS
 C6H12+H = C2H4+pC4H9                         8.00E+21   -2.39  11180.0  ! =(C3H6+H)
 C6H12+H = C3H6+nC3H7                         1.60E+22   -2.39  11180.0  ! Estimated
 C6H12+H = PXC6H11+H2                         6.50E+05    2.54   6756.0  ! =(C4H81+H)
 C6H12+H = SXC6H11+H2                         1.30E+06    2.40   4471.0  ! =(C3H8+H) !BS
 C6H12+H = S2XC6H11+H2                        1.30E+06    2.40   4471.0  ! =(C3H8+H) !BS
 C6H12+H = SAXC6H11+H2                        5.40E+04    2.50  -1900.0  ! 05/TO-BU  !BS
 C6H12+O = PXC5H11+HCO                        3.30E+08    1.45   -402.0  !=(C4H81+O)
 C6H12+O = PXC6H11+OH                           1.50E+13    0.00   5760.0  !(C4H81+O)
 duplicate
 C6H12+O = PXC6H11+OH                           2.60E+13    0.00   4470.0  !(C4H81+O)
 duplicate
 C6H12+OH = PXC6H11+H2O                         7.00E+02    2.66    527.0  !=(C3H8+OH)
 C6H12+O2 = PXC6H11+HO2                         2.00E+13    0.00  50930.0  !=(C3H8+O2)
 C6H12+HO2 = PXC6H11+H2O2                       1.00E+12    0.00  14340.0  !=(C4H81+HO2)
 C6H12+CH3 = PXC6H11+CH4                        4.50E-01    3.65   7153.0  !=(C3H8+CH3)
!
! Reactions of PXC6H13
!
! C2H4+pC4H9 = PXC6H13                         3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
! PXC6H13+H(+M) = NC6H14(+M)                   3.60E+13    0.00      0.0  ! =(nC3H7+H)    !BS
!                       LOW  / 3.01E+48  -9.32   5833.6      /
!                       TROE / 0.498  1314.0  1314.0 50000.0 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
! Beta-scission Reactions of hexyl radicals
!
 PXC6H13(+M) = C2H4+pC4H9(+M)                  1.02E+12    0.30  27273.6  ! 07TSA !B
                       LOW  / 7.10E-35 15.411  -600.0    /
                       TROE / -5.91  333.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC6H13(+M) = C3H6+nC3H7(+M)                  4.47E+11    0.57  28044.5  ! 07TSA !B
                       LOW  / 3.70E-33 14.91  -600.0     /
                       TROE / -6.53  333.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC6H13(+M) = C2H5+C4H81(+M)                 3.55E+12    0.29  28296.9  ! 07TSA !B
                       LOW  / 4.50E-26 13.09  -600.5     /
                       TROE / -0.74  308.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC6H13(+M) = C5H10+CH3(+M)                  8.13E+10    0.78  29648.0  ! 07TSA !B
                       LOW  / 4.00E-39 16.782  -600.4    /
                       TROE / -7.03  314.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!PXC6H13+H = pC4H9+C2H5                       3.40E+18   -1.33    5386.0 ! =(nC3H7+H) 0.1 atm
 PXC6H13+H = pC4H9+C2H5                       3.70E+24   -2.92   12505.0 ! =(nC3H7+H)  1 atm
!PXC6H13+H = pC4H9+C2H5                       3.10E+27   -3.59   19059.0 ! =(nC3H7+H) 10 atm
 PXC6H13+H = C6H12+H2                         1.80E+12    0.00      0.0  ! =(nC3H7+H) 
 PXC6H13+O = PXC5H11+CH2O                     9.60E+13    0.00      0.0  ! =(nC3H7+O) 
 PXC6H13+OH = C6H12+H2O                       2.40E+13    0.00      0.0  ! =(nC3H7+OH) 
 PXC6H13+O2 = C6H12+HO2                       9.00E+10    0.00      0.0  ! =(nC3H7+O2)
 PXC6H13+HO2 = PXC5H11+OH+CH2O                2.40E+13    0.00      0.0  ! =(nC3H7+HO2) 
 PXC6H13+HCO = NC6H14+CO                      9.00E+13    0.00      0.0  ! =(nC3H7+HCO) 
 PXC6H13+CH3 = C6H12+CH4                      1.10E+13    0.00      0.0  ! =(nC3H7+CH3) 
!
! Reactions of SXC6H13
!
!  C3H6+nC3H7 = SXC6H13                    3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!B
!
 SXC6H13+H(+M) = NC6H14(+M)                   2.40E+13    0.00      0.0  ! =(iC3H7+H) 
                       LOW  / 1.70E+58 -12.08  11263.7      /
                       TROE / 0.649  1213.1  1213.1 13369.7 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!SXC6H13+H = pC4H9+C2H5                       5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC6H13+H = pC4H9+C2H5                       1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC6H13+H = pC4H9+C2H5                       4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC6H13+H = C6H12+H2                         3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC6H13+O = CH3CHO+pC4H9                     9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC6H13+OH = C6H12+H2O                       2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC6H13+O2 = C6H12+HO2                       1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC6H13+HO2 = CH3CHO+pC4H9+OH                2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC6H13+HCO = NC6H14+CO                      1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC6H13+CH3 = CH4+C6H12                      2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!
! Reactions of S2XC6H13
!  C2H5+C4H81 = S2XC6H13                       3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!B
!  C5H10+CH3(+M)= S2XC6H13(+M)                 1.70E+11    0.00   7403.6  ! =(C3H6+CH3)   !B
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC6H13+O2 = C6H12+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of NC6H14
!
 PXC5H11+CH3 = NC6H14                         1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 pC4H9+C2H5 = NC6H14                          1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 nC3H7+nC3H7 = NC6H14                         1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC6H14+H = PXC6H13+H2                        1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC6H14+H = SXC6H13+H2                        2.60E+06    2.40   4471.0  ! =(C3H8+H)*2
 NC6H14+H = S2XC6H13+H2		 	      2.60E+06    2.40   4471.0  ! =(C3H8+H)*2   EDames
 NC6H14+O = PXC6H13+OH                        3.70E+06    2.40   5504.0  ! !B 86/CW 
 NC6H14+O = SXC6H13+OH                        3.50E+05    2.60   2106.0  ! !B 86/CW
 NC6H14+O = S2XC6H13+OH			      3.50E+05    2.60   2106.0  ! !B 86/CW
 NC6H14+OH = PXC6H13+H2O                      2.73E+07    1.81    868.3  ! 09SI/MI
 NC6H14+OH = SXC6H13+H2O                      1.41E+10    0.94    504.7  ! 09SI/MI
 NC6H14+OH = S2XC6H13+H2O 	              1.14E+07    1.81  -1015.4  ! 09SI/MI
 NC6H14+O2 = PXC6H13+HO2                      4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC6H14+O2 = SXC6H13+HO2                      8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2 
 NC6H14+O2 = S2XC6H13+HO2		      8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  EDames
 NC6H14+HO2 = PXC6H13+H2O2                    4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC6H14+HO2 = SXC6H13+H2O2                    1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 
 NC6H14+HO2 = S2XC6H13+H2O2		      1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 EDames
 NC6H14+CH3 = PXC6H13+CH4                     9.03E-01    3.65   7153.0  ! =(C3H8+CH3) 
 NC6H14+CH3 = SXC6H13+CH4                     3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 
 NC6H14+CH3 = S2XC6H13+CH4		      3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 EDames
!
! Reactions of PXC7H13
!
!PXC7H13 = C7H12+H                              2.48E+53  -12.30  52000.0  !=(C4H7)
!PXC7H13 = C7H12+H                              1.85E+48  -10.50  51770.0  !=(C4H7) 10 atm
 PXC7H13+H(+M) = C7H14(+M)                      3.60E+13    0.00      0.0  != nC3H7+H
   LOW  / 3.01E+48  -9.32   5833.6      /
   TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC7H13+H = CH3+PXC6H11                          2.00E+21   -2.00  11000.0  !=(C4H7+H)
!PXC7H13+H = C7H12+H2                           1.80E+12    0.00      0.0  != nC3H7+H
!PXC7H13+O2 = C7H12+HO2                         1.00E+11    0.00      0.0  !=(C4H7+O2)
 PXC7H13+HO2 = CH2O+OH+PXC6H11                    2.40E+13    0.00      0.0  != nC3H7+HO2
 PXC7H13+HCO = C7H14+CO                         6.00E+13    0.00      0.0  != nC3H7+HCO
!PXC7H13+CH3 = C7H12+CH4                        1.10E+13    0.00      0.0  != nC3H7+CH3
! Alternative
 C2H4+PXC5H9 = PXC7H13                            3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
!
! Reactions of C7H14
!
! C7H14+H(+M) = PXC7H15(+M)                    1.33E+13    0.00   3260.7  ! =(C3H6+H) !B 
!                       LOW  / 6.26E+38  -6.66   7000.0      /
!                       TROE / 1.000  1000.0  1310.0 48097.0 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C7H14+H(+M) = SXC7H15(+M)                    1.33E+13    0.00   1559.8  ! =(C3H6+H) !B
!                       LOW  / 8.70E+42  -7.50   4721.8      /
!                       TROE / 1.000  1000.0   645.4  6844.3 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C7H14 = pC4H9+aC3H5                          1.07E+23   -2.03  74958.0  ! 08/TSAwip  !BS
 C7H14 = C4H81+C3H6                           7.08E+06    1.65  53752.0  ! 08/TSAwip  !BS
 C7H14+H = C2H4+PXC5H11                       8.00E+21   -2.39  11180.0  ! =(C3H6+H)
 C7H14+H = C3H6+pC4H9                         1.60E+22   -2.39  11180.0  ! Estimated
 C7H14+H = PXC7H13+H2                         6.50E+05    2.54   6756.0  ! =(C4H81+H)
 C7H14+O = PXC6H13+HCO                        3.30E+08    1.45   -402.0  !=(C4H81+O)
 C7H14+O = PXC7H13+OH                           1.50E+13    0.00   5760.0  !(C4H81+O)
 duplicate
 C7H14+O = PXC7H13+OH                           2.60E+13    0.00   4470.0  !(C4H81+O)
 duplicate
 C7H14+OH = PXC7H13+H2O                         7.00E+02    2.66    527.0  !=(C3H8+OH)
 C7H14+O2 = PXC7H13+HO2                         2.00E+13    0.00  50930.0  !=(C3H8+O2)
 C7H14+HO2 = PXC7H13+H2O2                       1.00E+12    0.00  14340.0  !=(C4H81+HO2)
 C7H14+CH3 = PXC7H13+CH4                        4.50E-01    3.65   7153.0  !=(C3H8+CH3)
!
! Reactions of PXC7H15
!
! C2H4+PXC5H11 = PXC7H15                       3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!B
!
! Beta-scission Reactions of heptyl radicals
!
 PXC7H15(+M) = C2H4+PXC5H11(+M)                7.94E+11    0.33  27210.0  ! 08TSAa !B
                       LOW  / 2.80E-44 18.729  -602.5     /
                       TROE / -14.66  219.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC7H15(+M) = pC4H9+C3H6(+M)                  5.01E+11    0.56  28092.2  ! 08TSAa !B
                       LOW  / 8.90E-39 16.934  -602.5    /
                       TROE / -25.27  223.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC7H15(+M) = nC3H7+C4H81(+M)                2.95E+12    0.31  28257.1  ! 08TSAa !B
                       LOW  / 2.00E-38 16.814  -602.4     /
                       TROE / -20.96  221.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC7H15(+M) = C6H12+CH3(+M)                  1.10E+11    0.75  29401.6  ! 08TSAa !B
                       LOW  / 1.06E-42 18.004  -602.4     /
                       TROE / -20.94  217.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC7H15(+M) = C2H5+C5H10(+M)                 5.89E+12    0.31  28257.1  ! 08TSAa !B
                       LOW  / 2.10E-38 16.897  -602.5     /
                       TROE / -27.54  224.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! 
! 
 PXC7H15+H(+M) = NC7H16(+M)                   3.60E+13    0.00      0.0  ! =(nC3H7+H) 
                       LOW  / 3.01E+48  -9.32   5833.6      /
                       TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!PXC7H15+H = PXC5H11+C2H5                     3.40E+18   -1.33    5386.0 ! =(nC3H7+H) 0.1 atm
 PXC7H15+H = PXC5H11+C2H5                     3.70E+24   -2.92   12505.0 ! =(nC3H7+H)  1 atm
!PXC7H15+H = PXC5H11+C2H5                     3.10E+27   -3.59   19059.0 ! =(nC3H7+H) 10 atm
 PXC7H15+H = C7H14+H2                         1.80E+12    0.00      0.0  ! =(nC3H7+H) 
 PXC7H15+O = PXC6H13+CH2O                     9.60E+13    0.00      0.0  ! =(nC3H7+O) 
 PXC7H15+OH = C7H14+H2O                       2.40E+13    0.00      0.0  ! =(nC3H7+OH) 
 PXC7H15+O2 = C7H14+HO2                       9.00E+10    0.00      0.0  ! =(nC3H7+O2)
 PXC7H15+HO2 = PXC6H13+OH+CH2O                2.40E+13    0.00      0.0  ! =(nC3H7+HO2) 
 PXC7H15+HCO = NC7H16+CO                      9.00E+13    0.00      0.0  ! =(nC3H7+HCO) 
 PXC7H15+CH3 = C7H14+CH4                      1.10E+13    0.00      0.0  ! =(nC3H7+CH3) 
!
! Reactions of SXC7H15
!
!  pC4H9+C3H6 = SXC7H15                        3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !B
! SXC7H15+H(+M) = NC7H16(+M)                   2.40E+13    0.00      0.0  ! =(iC3H7+H)     !B
!                   LOW  / 1.70E+58 -12.08  11263.7      /
!                   TROE / 0.649  1213.1  1213.1 13369.7 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!SXC7H15+H = PXC5H11+C2H5                     5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC7H15+H = PXC5H11+C2H5                     1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC7H15+H = PXC5H11+C2H5                     4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC7H15+H = C7H14+H2                         3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC7H15+O = CH3CHO+PXC5H11                   9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC7H15+OH = C7H14+H2O                       2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC7H15+O2 = C7H14+HO2                       1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC7H15+HO2 = CH3CHO+PXC5H11+OH              2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC7H15+HCO = NC7H16+CO                      1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC7H15+CH3 = CH4+C7H14                      2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!
! Reactions of S2XC7H15
!  nC3H7+C4H81 = S2XC7H15                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !B
!  C6H12+CH3(+M)= S2XC7H15(+M)                 1.70E+11    0.00   7403.6  ! =(C3H6+CH3)    !B
!
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC7H15+O2 = C7H14+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S3XC7H15 
!  C2H5+C5H10 = S3XC7H15                       3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !B
! 
 S3XC7H15+O2 = C7H14+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of NC7H16
!
 PXC6H13+CH3 = NC7H16                         1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 PXC5H11+C2H5 = NC7H16                        1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 pC4H9+nC3H7 = NC7H16                         1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC7H16+H = PXC7H15+H2                        1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC7H16+H = SXC7H15+H2                        2.60E+06    2.40   4471.0  ! =(C3H8+H)*2
 NC7H16+H = S2XC7H15+H2                       2.60E+06    2.40   4471.0  ! =(C3H8+H)*2   EDames
 NC7H16+H = S3XC7H15+H2                       1.30E+06    2.40   4471.0  ! =(C3H8+H)     EDames
 NC7H16+O = PXC7H15+OH                        2.90E+06    2.40   5504.0  ! !B 86/CW
 NC7H16+O = SXC7H15+OH                        2.80E+05    2.60   1908.0  ! !B 86/CW
 NC7H16+O = S2XC7H15+OH			      2.80E+05    2.60   1908.0  ! !B 86/CW
 NC7H16+O = S3XC7H15+OH			      1.40E+05    2.60   1908.0  ! !B 86/CW
 NC7H16+OH = PXC7H15+H2O                      2.73E+07    1.81    868.3  ! 09SI/MI
 NC7H16+OH = SXC7H15+H2O                      1.41E+10    0.94    504.7  ! 09SI/MI
 NC7H16+OH = S2XC7H15+H2O		      1.14E+07    1.81  -1015.4  ! 09SI/MI
 NC7H16+OH = S3XC7H15+H2O		      5.62E+11    0.32    846.5  ! 09SI/MI
 NC7H16+O2 = PXC7H15+HO2                      4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC7H16+O2 = SXC7H15+HO2                      8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2 
 NC7H16+O2 = S2XC7H15+HO2		      8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  EDames
 NC7H16+O2 = S3XC7H15+HO2		      4.00E+13    0.00  47590.0  ! =(C3H8+O2)    EDames
 NC7H16+HO2 = PXC7H15+H2O2                    4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC7H16+HO2 = SXC7H15+H2O2                    1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 
 NC7H16+HO2 = S2XC7H15+H2O2		      1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 EDames
 NC7H16+HO2 = S3XC7H15+H2O2		      0.95E+04    2.60  13910.0  ! =(C3H8+HO2)   EDames
 NC7H16+CH3 = PXC7H15+CH4                     9.03E-01    3.65   7153.0  ! =(C3H8+CH3) 
 NC7H16+CH3 = SXC7H15+CH4                     3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 
 NC7H16+CH3 = S2XC7H15+CH4		      3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 EDames
 NC7H16+CH3 = S3XC7H15+CH4		      1.50E+00    3.46   5480.0  ! =(C3H8+CH3)   EDames
!
! Reactions of PXC8H15
!
!PXC8H15 = C8H14+H                              2.48E+53  -12.30  52000.0  !=(C4H7)
!PXC8H15 = C8H14+H                              1.85E+48  -10.50  51770.0  !=(C4H7) 10 atm
 PXC8H15+H(+M) = C8H16(+M)                      3.60E+13    0.00      0.0  != nC3H7+H
   LOW  / 3.01E+48  -9.32   5833.6      /
      TROE / 0.498  1314.0  1314.0 50000.0 /
       H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC8H15+H = CH3+PXC7H13                          2.00E+21   -2.00  11000.0  !=(C4H7+H)
!PXC8H15+H = C8H14+H2                           1.80E+12    0.00      0.0  != nC3H7+H
!PXC8H15+O2 = C8H14+HO2                         1.00E+11    0.00      0.0  !=(C4H7+O2)
 PXC8H15+HO2 = CH2O+OH+PXC7H13                    2.40E+13    0.00      0.0  != nC3H7+HO2
 PXC8H15+HCO = C8H16+CO                         6.00E+13    0.00      0.0  != nC3H7+HCO
!PXC8H15+CH3 = C8H14+CH4                        1.10E+13    0.00      0.0  != nC3H7+CH3
! Alternative
 C2H4+PXC6H11 = PXC8H15                           3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
!
! Reactions of C8H16
!
! C8H16+H(+M) = PXC8H17(+M)                    1.33E+13    0.00   3260.7  ! =(C3H6+H) !B
!                       LOW  / 6.26E+38  -6.66   7000.0      /
!                       TROE / 1.000  1000.0  1310.0 48097.0 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C8H16+H(+M) = SXC8H17(+M)                    1.33E+13    0.00   1559.8  ! =(C3H6+H) !B 
!                       LOW  / 8.70E+42  -7.50   4721.8      /
!                       TROE / 1.000  1000.0   645.4  6844.3 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C8H16 = PXC5H11+aC3H5                        1.07E+23   -2.03  74958.0  ! 08/TSAwip  !BS
 C8H16 = C5H10+C3H6                           7.08E+06    1.65  53752.0  ! 08/TSAwip  !BS
 C8H16+H = C2H4+PXC6H13                       8.00E+21   -2.39  11180.0  ! =(C3H6+H)
 C8H16+H = C3H6+PXC5H11                       1.60E+22   -2.39  11180.0  ! Estimated
 C8H16+H = PXC8H15+H2                         6.50E+05    2.54   6756.0  ! =(C4H81+H)
 C8H16+O = PXC7H15+HCO                        3.30E+08    1.45   -402.0  !=(C4H81+O)
 C8H16+O = PXC8H15+OH                           1.50E+13    0.00   5760.0  !(C4H81+O)
 duplicate
 C8H16+O = PXC8H15+OH                           2.60E+13    0.00   4470.0  !(C4H81+O)
 duplicate
 C8H16+OH = PXC8H15+H2O                         7.00E+02    2.66    527.0  !=(C3H8+OH)
 C8H16+O2 = PXC8H15+HO2                         2.00E+13    0.00  50930.0  !=(C3H8+O2)
 C8H16+HO2 = PXC8H15+H2O2                       1.00E+12    0.00  14340.0  !=(C4H81+HO2)
 C8H16+CH3 = PXC8H15+CH4                        4.50E-01    3.65   7153.0  !=(C3H8+CH3)
!
! Reactions of PXC8H17
!
! C2H4+PXC6H13 = PXC8H17                       3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!B
!
! Beta-scission Reactions of octyl radicals
!
 PXC8H17(+M) = C2H4+PXC6H13(+M)               9.12E+11    0.31  27237.8  ! 08TSAb !B
                       LOW  / 1.80E-57 23.463  -602.4    /
                       TROE / -2.46  206.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC8H17(+M) = PXC5H11+C3H6(+M)               6.03E+10    0.84  27820.0  ! 08TSAb !B
                       LOW  / 1.00E-43 18.591  -602.5     /
                       TROE / -43.32  200.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC8H17(+M) = pC4H9+C4H81(+M)               2.04E+13    0.04  28493.6  ! 08TSAb !B
                       LOW  / 3.00E-43 18.430  -602.8     /
                       TROE / -34.47  208.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC8H17(+M) = C7H14+CH3(+M)                 9.55E+09    1.08  29387.7  ! 08TSAb !B
                       LOW  / 5.30E-46 19.133  -602.7     /
                       TROE / -34.36  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC8H17(+M) = nC3H7+C5H10(+M)               5.50E+11    0.55  28084.3  ! 08TSAb !B
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC8H17(+M) = C6H12+C2H5(+M)                6.76E+09    1.11  27023.2  ! 08TSAb !B
                       LOW  / 8.20E-43 18.276  -602.9     /
                       TROE / -30.04  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!
 PXC8H17+H(+M) = NC8H18(+M)                   3.60E+13    0.00      0.0  ! =(nC3H7+H) 
                       LOW  / 3.01E+48  -9.32   5833.6      /
                       TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!PXC8H17+H = PXC6H13+C2H5                     3.40E+18   -1.33    5386.0 ! =(nC3H7+H) 0.1 atm
 PXC8H17+H = PXC6H13+C2H5                     3.70E+24   -2.92   12505.0 ! =(nC3H7+H)  1 atm
!PXC8H17+H = PXC6H13+C2H5                     3.10E+27   -3.59   19059.0 ! =(nC3H7+H) 10 atm
 PXC8H17+H = C8H16+H2                         1.80E+12    0.00      0.0  ! =(nC3H7+H) 
 PXC8H17+O = PXC7H15+CH2O                     9.60E+13    0.00      0.0  ! =(nC3H7+O) 
 PXC8H17+OH = C8H16+H2O                       2.40E+13    0.00      0.0  ! =(nC3H7+OH) 
 PXC8H17+O2 = C8H16+HO2                       9.00E+10    0.00      0.0  ! =(nC3H7+O2)
 PXC8H17+HO2 = PXC7H15+OH+CH2O                2.40E+13    0.00      0.0  ! =(nC3H7+HO2) 
 PXC8H17+HCO = NC8H18+CO                      9.00E+13    0.00      0.0  ! =(nC3H7+HCO) 
 PXC8H17+CH3 = C8H16+CH4                      1.10E+13    0.00      0.0  ! =(nC3H7+CH3) 
!  
! Reactions of SXC8H17
!
!  PXC5H11+C3H6 = SXC8H17                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 SXC8H17+H(+M) = NC8H18(+M)                   2.40E+13    0.00      0.0  ! =(iC3H7+H) 
                       LOW  / 1.70E+58 -12.08  11263.7      /
                       TROE / 0.649  1213.1  1213.1 13369.7 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!SXC8H17+H = PXC6H13+C2H5                     5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC8H17+H = PXC6H13+C2H5                     1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC8H17+H = PXC6H13+C2H5                     4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC8H17+H = C8H16+H2                         3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC8H17+O = CH3CHO+PXC6H13                   9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC8H17+OH = C8H16+H2O                       2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC8H17+O2 = C8H16+HO2                       1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC8H17+HO2 = CH3CHO+PXC6H13+OH              2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC8H17+HCO = NC8H18+CO                      1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC8H17+CH3 = CH4+C8H16                      2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!
! Reactions of S2XC8H17
!  pC4H9+C4H81 = S2XC8H17                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
! C7H14+CH3(+M)= S2XC8H17(+M)                 1.70E+11    0.00   7403.6  ! =(C3H6+CH3)
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC8H17+O2 = C8H16+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S3XC8H17
!  nC3H7+C5H10 = S3XC8H17                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
!  C6H12+C2H5 = S3XC8H17                       3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
!
 S3XC8H17+O2 = C8H16+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of NC8H18
!
 PXC7H15+CH3 = NC8H18                         1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 PXC6H13+C2H5 = NC8H18                        1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC5H11+nC3H7 = NC8H18                       1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 pC4H9+pC4H9 = NC8H18                         1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC8H18+H = PXC8H17+H2                        1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC8H18+H = SXC8H17+H2                        2.60E+06    2.40   4471.0  ! =(C3H8+H)*2
 NC8H18+H = S2XC8H17+H2                       2.60E+06    2.40   4471.0  ! =(C3H8+H)*2    EDames
 NC8H18+H = S3XC8H17+H2                       2.60E+06    2.40   4471.0  ! =(C3H8+H)*2    EDames
 NC8H18+O = PXC8H17+OH                        2.50E+06    2.40   5504.0  ! !BS 86/CW
 NC8H18+O = SXC8H17+OH                        2.30E+05    2.60   1768.0  ! !BS 86/CW
 NC8H18+O = S2XC8H17+OH                       2.30E+05    2.60   1768.0  ! !BS 86/CW
 NC8H18+O = S3XC8H17+OH                       2.30E+05    2.60   1768.0  ! !BS 86/CW
 NC8H18+OH = PXC8H17+H2O                      2.73E+07    1.81    868.3  ! 09SI/MI
 NC8H18+OH = SXC8H17+H2O                      1.41E+10    0.94    504.7  ! 09SI/MI
 NC8H18+OH = S2XC8H17+H2O                     1.14E+07    1.81  -1015.4  ! 09SI/MI 
 NC8H18+OH = S3XC8H17+H2O                     1.12E+12    0.32    846.5  ! 09SI/MI
 NC8H18+O2 = PXC8H17+HO2                      4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC8H18+O2 = SXC8H17+HO2                      8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2
 NC8H18+O2 = S2XC8H17+HO2                     8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2   EDames
 NC8H18+O2 = S3XC8H17+HO2                     8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2   EDames
 NC8H18+HO2 = PXC8H17+H2O2                    4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC8H18+HO2 = SXC8H17+H2O2                    1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2
 NC8H18+HO2 = S2XC8H17+H2O2                   1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2  EDames
 NC8H18+HO2 = S3XC8H17+H2O2                   1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2  EDames
 NC8H18+CH3 = PXC8H17+CH4                     9.03E-01    3.65   7153.0  ! =(C3H8+CH3) 
 NC8H18+CH3 = SXC8H17+CH4                     3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 
 NC8H18+CH3 = S2XC8H17+CH4                    3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2  EDames
 NC8H18+CH3 = S3XC8H17+CH4                    3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2  EDames
!
! Reactions of PXC9H17
!
!PXC9H17 = C9H16+H                              2.48E+53  -12.30  52000.0  !=(C4H7)
!PXC9H17 = C9H16+H                              1.85E+48  -10.50  51770.0  !=(C4H7) 10 atm
 PXC9H17+H(+M) = C9H18(+M)                      3.60E+13    0.00      0.0  != nC3H7+H
    LOW  / 3.01E+48  -9.32   5833.6      /
    TROE / 0.498  1314.0  1314.0 50000.0 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC9H17+H = CH3+PXC8H15                          2.00E+21   -2.00  11000.0  !=(C4H7+H)
!PXC9H17+H = C9H16+H2                           1.80E+12    0.00      0.0  != nC3H7+H
!PXC9H17+O2 = C9H16+HO2                         1.00E+11    0.00      0.0  !=(C4H7+O2)
 PXC9H17+HO2 = CH2O+OH+PXC8H15                    2.40E+13    0.00      0.0  != nC3H7+HO2
 PXC9H17+HCO = C9H18+CO                         6.00E+13    0.00      0.0  != nC3H7+HCO
!PXC9H17+CH3 = C9H16+CH4                        1.10E+13    0.00      0.0  != nC3H7+CH3
! Alternative
 C2H4+PXC7H13 = PXC9H17                           3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
! 
! Reactions of C9H18
!
! C9H18+H(+M) = PXC9H19(+M)                    1.33E+13    0.00   3260.7  ! =(C3H6+H) !BS
!                        LOW  / 6.26E+38  -6.66   7000.0      /
!                        TROE / 1.000  1000.0  1310.0 48097.0 /
!     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C9H18+H(+M) = SXC9H19(+M)                    1.33E+13    0.00   1559.8  ! =(C3H6+H) !BS
!                        LOW  / 8.70E+42  -7.50   4721.8      /
!                        TROE / 1.000  1000.0   645.4  6844.3 /
!     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C9H18 = PXC6H13+aC3H5                        1.07E+23   -2.03  74958.0  ! 08/TSAwip  !BS
 C9H18 = C6H12+C3H6                           7.08E+06    1.65  53752.0  ! 08/TSAwip  !BS
 C9H18+H = C2H4+PXC7H15                       8.00E+21   -2.39  11180.0  ! =(C3H6+H)
 C9H18+H = C3H6+PXC6H13                       1.60E+22   -2.39  11180.0  ! Estimated
 C9H18+H = PXC9H17+H2                         6.50E+05    2.54   6756.0  ! =(C4H81+H)
 C9H18+O = PXC8H17+HCO                        3.30E+08    1.45   -402.0  !=(C4H81+O)
 C9H18+O = PXC9H17+OH                         1.50E+13    0.00   5760.0  !(C4H81+O)
 duplicate
 C9H18+O = PXC9H17+OH                         2.60E+13    0.00   4470.0  !(C4H81+O)
 duplicate
 C9H18+OH = PXC9H17+H2O                       7.00E+02    2.66    527.0  !=(C3H8+OH)
 C9H18+O2 = PXC9H17+HO2                       2.00E+13    0.00  50930.0  !=(C3H8+O2)
 C9H18+HO2 = PXC9H17+H2O2                     1.00E+12    0.00  14340.0  !=(C4H81+HO2)
 C9H18+CH3 = PXC9H17+CH4                      4.50E-01    3.65   7153.0  !=(C3H8+CH3)
!			                 
! Reactions of PXC9H19
!
! C2H4+PXC7H15 = PXC9H19                       3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!
! Beta-scission Reactions of nonyl radicals
!
 PXC9H19(+M) = C2H4+PXC7H15(+M)               9.12E+11    0.31  27237.8  ! From 08TSAb !BS
                       LOW  / 1.80E-57 23.463  -602.4    /
                       TROE / -2.46  206.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC9H19(+M) = C3H6+PXC6H13(+M)               6.03E+10    0.84  27820.0  ! From 08TSAb !BS
                       LOW  / 1.00E-43 18.591  -602.5     /
                       TROE / -43.32  200.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC9H19(+M) = PXC5H11+C4H81(+M)             2.04E+13    0.04  28493.6  ! From 08TSAb !BS
                       LOW  / 3.00E-43 18.430  -602.8     /
                       TROE / -34.47  208.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC9H19(+M) = C8H16+CH3(+M)                 9.55E+09    1.08  29387.7  ! From 08TSAb !BS
                       LOW  / 5.30E-46 19.133  -602.7     /
                       TROE / -34.36  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC9H19(+M) = pC4H9+C5H10(+M)               5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC9H19(+M) = C7H14+C2H5(+M)                6.76E+09    1.11  27023.2  ! From 08TSAb !BS
                       LOW  / 8.20E-43 18.276  -602.9     /
                       TROE / -30.04  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
 S4XC9H19(+M) = nC3H7+C6H12(+M)               1.10E+12    0.55  28084.3  ! From 08TSAb * 2 !BS
                       LOW  / 6.20E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!
!
 PXC9H19+H(+M) = NC9H20(+M)                   3.60E+13    0.00      0.0  ! =(nC3H7+H) 
                       LOW  / 3.01E+48  -9.32   5833.6      /
                       TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!PXC9H19+H = PXC7H15+C2H5                     3.40E+18   -1.33    5386.0 ! =(nC3H7+H) 0.1 atm
 PXC9H19+H = PXC7H15+C2H5                     3.70E+24   -2.92   12505.0 ! =(nC3H7+H)  1 atm
!PXC9H19+H = PXC7H15+C2H5                     3.10E+27   -3.59   19059.0 ! =(nC3H7+H) 10 atm
 PXC9H19+H = C9H18+H2                         1.80E+12    0.00      0.0  ! =(nC3H7+H) 
 PXC9H19+O = PXC8H17+CH2O                     9.60E+13    0.00      0.0  ! =(nC3H7+O) 
 PXC9H19+OH = C9H18+H2O                       2.40E+13    0.00      0.0  ! =(nC3H7+OH) 
 PXC9H19+O2 = C9H18+HO2                       9.00E+10    0.00      0.0  ! =(nC3H7+O2)
 PXC9H19+HO2 = PXC8H17+OH+CH2O                2.40E+13    0.00      0.0  ! =(nC3H7+HO2) 
 PXC9H19+HCO = NC9H20+CO                      9.00E+13    0.00      0.0  ! =(nC3H7+HCO) 
 PXC9H19+CH3 = C9H18+CH4                      1.10E+13    0.00      0.0  ! =(nC3H7+CH3) 
!
! Reactions of SXC9H19
!
!  C3H6+PXC6H13 = SXC9H19                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!
 SXC9H19+H(+M) = NC9H20(+M)                   2.40E+13    0.00      0.0  ! =(iC3H7+H) 
                       LOW  / 1.70E+58 -12.08  11263.7      /
                       TROE / 0.649  1213.1  1213.1 13369.7 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!SXC9H19+H = PXC7H15+C2H5                     5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC9H19+H = PXC7H15+C2H5                     1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC9H19+H = PXC7H15+C2H5                     4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC9H19+H = C9H18+H2                         3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC9H19+O = CH3CHO+PXC7H15                   9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC9H19+OH = C9H18+H2O                       2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC9H19+O2 = C9H18+HO2                       1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC9H19+HO2 = CH3CHO+PXC7H15+OH              2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC9H19+HCO = NC9H20+CO                      1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC9H19+CH3 = CH4+C9H18                      2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!
! Reactions of S2XC9H19
!  PXC5H11+C4H81 = S2XC9H19                    3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C8H16+CH3(+M)= S2XC9H19(+M)                 1.70E+11    0.00   7403.6  ! =(C3H6+CH3)!BS
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC9H19+O2 = C9H18+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S3XC9H19
!  pC4H9+C5H10 = S3XC9H19                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C7H14+C2H5 = S3XC9H19                       3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 S3XC9H19+O2 = C9H18+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S4XC9H19 
!  nC3H7+C6H12 = S4XC9H19                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 S4XC9H19+O2 = C9H18+HO2                      1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of NC9H20
!
 PXC8H17+CH3 = NC9H20                         1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 PXC7H15+C2H5 = NC9H20                        1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC6H13+nC3H7 = NC9H20                       1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC5H11+pC4H9 = NC9H20                       1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC9H20+H = PXC9H19+H2                        1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC9H20+H = SXC9H19+H2                        2.60E+06    2.40   4471.0  ! =(C3H8+H)*2
 NC9H20+H = S2XC9H19+H2                       2.60E+06    2.40   4471.0  ! =(C3H8+H)*2   EDames
 NC9H20+H = S3XC9H19+H2                       2.60E+06    2.40   4471.0  ! =(C3H8+H)*2   EDames
 NC9H20+H = S4XC9H19+H2                       1.30E+06    2.40   4471.0  ! =(C3H8+H)     EDames
 NC9H20+O = PXC9H19+OH                        2.50E+06    2.40   5504.0  ! !BS 86/CW (octane)
 NC9H20+O = SXC9H19+OH                        2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC9H20+O = S2XC9H19+OH                       2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC9H20+O = S3XC9H19+OH                       2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC9H20+O = S4XC9H19+OH                       1.15E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC9H20+OH = PXC9H19+H2O                      2.73E+07    1.81    868.3  ! 09SI/MI
 NC9H20+OH = SXC9H19+H2O                      1.41E+10    0.94    504.7  ! 09SI/MI
 NC9H20+OH = S2XC9H19+H2O                     1.14E+07    1.81  -1015.4  ! 09SI/MI
 NC9H20+OH = S3XC9H19+H2O                     1.12E+12    0.32    846.5  ! 09SI/MI
 NC9H20+OH = S4XC9H19+H2O                     5.62E+11    0.32    846.5  ! 09SI/MI
 NC9H20+O2 = PXC9H19+HO2                      4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC9H20+O2 = SXC9H19+HO2                      8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2 
 NC9H20+O2 = S2XC9H19+HO2                     8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  EDames 
 NC9H20+O2 = S3XC9H19+HO2                     8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  EDames
 NC9H20+O2 = S4XC9H19+HO2                     4.00E+13    0.00  47590.0  ! =(C3H8+O2)    EDames
 NC9H20+HO2 = PXC9H19+H2O2                    4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC9H20+HO2 = SXC9H19+H2O2                    1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2  
 NC9H20+HO2 = S2XC9H19+H2O2                   1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 EDames 
 NC9H20+HO2 = S3XC9H19+H2O2                   1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 EDames 
 NC9H20+HO2 = S4XC9H19+H2O2                   0.95E+04    2.60  13910.0  ! =(C3H8+HO2)   EDames 
 NC9H20+CH3 = PXC9H19+CH4                     9.03E-01    3.65   7153.0  ! =(C3H8+CH3) 
 NC9H20+CH3 = SXC9H19+CH4                     3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 
 NC9H20+CH3 = S2XC9H19+CH4                    3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 EDames 
 NC9H20+CH3 = S3XC9H19+CH4                    3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 EDames 
 NC9H20+CH3 = S4XC9H19+CH4                    1.50E+00    3.46   5480.0  ! =(C3H8+CH3)   EDames 
!				              
! Reactions of PXC10H19
!
!PXC10H19 = C10H18+H                            2.48E+53  -12.30  52000.0  !=(C4H7)
!PXC10H19 = C10H18+H                            1.85E+48  -10.50  51770.0  !=(C4H7) 10 atm
 PXC10H19+H(+M) = C10H20(+M)                    3.60E+13    0.00      0.0  != nC3H7+H
                                       LOW  / 3.01E+48   -9.32   5833.6  /
                                    TROE / 0.498  1314.0  1314.0 50000.0 /
                        H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC10H19+H = CH3+PXC9H17                         2.00E+21   -2.00  11000.0  !=(C4H7+H)
!PXC10H19+H = C10H18+H2                         1.80E+12    0.00      0.0  != nC3H7+H
!PXC10H19+O2 = C10H18+HO2                       1.00E+11    0.00      0.0  !=(C4H7+O2)
 PXC10H19+HO2 = CH2O+OH+PXC9H17                   2.40E+13    0.00      0.0  != nC3H7+HO2
 PXC10H19+HCO = C10H20+CO                       6.00E+13    0.00      0.0  != nC3H7+HCO
!PXC10H19+CH3 = C10H18+CH4                      1.10E+13    0.00      0.0  != nC3H7+CH3
! Alternative
 C2H4+PXC8H15 = PXC10H19                          3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
! 
! Reactions of C10H20
! 
! C10H20+H(+M) = PXC10H21(+M)                  1.33E+13    0.00   3260.7  ! =(C3H6+H) !BS
!                       LOW  / 6.26E+38  -6.66   7000.0      /
!                       TROE / 1.000  1000.0  1310.0 48097.0 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C10H20+H(+M) = SXC10H21(+M)                  1.33E+13    0.00   1559.8  ! =(C3H6+H) !BS
!                       LOW  / 8.70E+42  -7.50   4721.8      /
!                       TROE / 1.000  1000.0   645.4  6844.3 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C10H20 = PXC7H15+aC3H5                       1.07E+23   -2.03  74958.0  ! 08/TSAwip  !BS
 C10H20 = C7H14+C3H6                          7.08E+06    1.65  53752.0  ! 08/TSAwip  !BS
 C10H20+H = C2H4+PXC8H17                      8.00E+21   -2.39  11180.0  ! =(C3H6+H)
 C10H20+H = C3H6+PXC7H15                      1.60E+22   -2.39  11180.0  ! Estimated
 C10H20+H = PXC10H19+H2                       6.50E+05    2.54   6756.0  ! =(C4H81+H)
 C10H20+O = PXC9H19+HCO                       3.30E+08    1.45   -402.0  !=(C4H81+O)
 C10H20+O = PXC10H19+OH                         1.50E+13    0.00   5760.0  !(C4H81+O)
 duplicate		                                       
 C10H20+O = PXC10H19+OH                         2.60E+13    0.00   4470.0  !(C4H81+O)
 duplicate
 C10H20+OH = PXC10H19+H2O                       7.00E+02    2.66    527.0  !=(C3H8+OH)
 C10H20+O2 = PXC10H19+HO2                       2.00E+13    0.00  50930.0  !=(C3H8+O2)
 C10H20+HO2 = PXC10H19+H2O2                     1.00E+12    0.00  14340.0  !=(C4H81+HO2)
 C10H20+CH3 = PXC10H19+CH4                      4.50E-01    3.65   7153.0  !=(C3H8+CH3)
!
! Reactions of PXC10H21
!
! C2H4+PXC8H17 = PXC10H21                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
!  Beta-scission Reactions of decyl radicals
!
 PXC10H21(+M) = C2H4+PXC8H17(+M)              9.12E+11    0.31  27237.8  ! From 08TSAb !BS
                       LOW  / 1.80E-57 23.463  -602.4    /
                       TROE / -2.46  206.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC10H21(+M) = C3H6+PXC7H15(+M)              6.03E+10    0.84  27820.0  ! From 08TSAb !BS
                       LOW  / 1.00E-43 18.591  -602.5     /
                       TROE / -43.32  200.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC10H21(+M) = PXC6H13+C4H81(+M)            2.04E+13    0.04  28493.6  ! From 08TSAb !BS
                       LOW  / 3.00E-43 18.430  -602.8     /
                       TROE / -34.47  208.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC10H21(+M) = C9H18+CH3(+M)                9.55E+09    1.08  29387.7  ! From 08TSAb !BS
                       LOW  / 5.30E-46 19.133  -602.7     /                       
                       TROE / -34.36  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC10H21(+M) = PXC5H11+C5H10(+M)            5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC10H21(+M) = C8H16+C2H5(+M)               6.76E+09    1.11  27023.2  ! From 08TSAb !BS
                       LOW  / 8.20E-43 18.276  -602.9     /
                       TROE / -30.04  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S4XC10H21(+M) = pC4H9+C6H12(+M)              5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S4XC10H21(+M) = C7H14+nC3H7(+M)              5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!
 PXC10H21+H(+M) = NC10H22(+M)                 3.60E+13    0.00      0.0  ! =(nC3H7+H) 
                       LOW  / 3.01E+48  -9.32   5833.6      /
                       TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!PXC10H21+H = PXC8H17+C2H5                    3.40E+18   -1.33    5386.0 ! =(nC3H7+H) 0.1 atm
 PXC10H21+H = PXC8H17+C2H5                    3.70E+24   -2.92   12505.0 ! =(nC3H7+H)  1 atm
!PXC10H21+H = PXC8H17+C2H5                    3.10E+27   -3.59   19059.0 ! =(nC3H7+H) 10 atm
 PXC10H21+H = C10H20+H2                       1.80E+12    0.00      0.0  ! =(nC3H7+H) 
 PXC10H21+O = PXC9H19+CH2O                    9.60E+13    0.00      0.0  ! =(nC3H7+O) 
 PXC10H21+OH = C10H20+H2O                     2.40E+13    0.00      0.0  ! =(nC3H7+OH) 
 PXC10H21+O2 = C10H20+HO2                     9.00E+10    0.00      0.0  ! =(nC3H7+O2)
 PXC10H21+HO2 = PXC9H19+OH+CH2O               2.40E+13    0.00      0.0  ! =(nC3H7+HO2) 
 PXC10H21+HCO = NC10H22+CO                    9.00E+13    0.00      0.0  ! =(nC3H7+HCO) 
 PXC10H21+CH3 = C10H20+CH4                    1.10E+13    0.00      0.0  ! =(nC3H7+CH3) 
!
! Reactions of SXC10H21
! 
!  C3H6+PXC7H15 = SXC10H21                     3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 SXC10H21+H(+M) = NC10H22(+M)                 2.40E+13    0.00      0.0  ! =(iC3H7+H) 
                       LOW  / 1.70E+58 -12.08  11263.7      /
                       TROE / 0.649  1213.1  1213.1 13369.7 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!SXC10H21+H = PXC8H17+C2H5                    5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC10H21+H = PXC8H17+C2H5                    1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC10H21+H = PXC8H17+C2H5                    4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC10H21+H = C10H20+H2                       3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC10H21+O = CH3CHO+PXC8H17                  9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC10H21+OH = C10H20+H2O                     2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC10H21+O2 = C10H20+HO2                     1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC10H21+HO2 = CH3CHO+PXC8H17+OH             2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC10H21+HCO = NC10H22+CO                    1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC10H21+CH3 = CH4+C10H20                    2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!				              
! Reactions of S2XC10H21
!  PXC6H13+C4H81 = S2XC10H21                   3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C9H18+CH3(+M)= S2XC10H21(+M)                1.70E+11    0.00   7403.6  ! =(C3H6+CH3)!BS
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC10H21+O2 = C10H20+HO2                    1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S3XC10H21
!  PXC5H11+C5H10 = S3XC10H21                   3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C8H16+C2H5=S3XC10H21                        3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 S3XC10H21+O2 = C10H20+HO2                    1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S4XC10H21 
!  pC4H9+C6H12 = S4XC10H21                     3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C7H14+nC3H7 = S4XC10H21                     3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 S4XC10H21+O2 = C10H20+HO2                    1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of NC10H22
!
 PXC9H19+CH3 = NC10H22                        1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 PXC8H17+C2H5 = NC10H22                       1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC7H15+nC3H7 = NC10H22                      1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC6H13+pC4H9 = NC10H22                      1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC5H11+PXC5H11 = NC10H22                    1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC10H22+H = PXC10H21+H2                      1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC10H22+H = SXC10H21+H2                      2.60E+06    2.40   4471.0  ! =(C3H8+H)*2
 NC10H22+H = S2XC10H21+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)*2    EDames
 NC10H22+H = S3XC10H21+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)*2    EDames
 NC10H22+H = S4XC10H21+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)*2    EDames
 NC10H22+O = PXC10H21+OH                      2.50E+06    2.40   5504.0  ! !BS 86/CW (octane)
 NC10H22+O = SXC10H21+OH                      2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC10H22+O = S2XC10H21+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC10H22+O = S3XC10H21+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC10H22+O = S4XC10H21+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC10H22+OH = PXC10H21+H2O                    2.73E+07    1.81    868.3  ! 09SI/MI
 NC10H22+OH = SXC10H21+H2O                    1.41E+10    0.94    504.7  ! 09SI/MI
 NC10H22+OH = S2XC10H21+H2O                   1.14E+07    1.81  -1015.4  ! 09SI/MI
 NC10H22+OH = S3XC10H21+H2O                   1.12E+12    0.32    846.5  ! 09SI/MI
 NC10H22+OH = S4XC10H21+H2O                   1.12E+12    0.32    846.5  ! 09SI/MI
 NC10H22+O2 = PXC10H21+HO2                    4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC10H22+O2 = SXC10H21+HO2                    8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2
 NC10H22+O2 = S2XC10H21+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2   EDames
 NC10H22+O2 = S3XC10H21+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2   EDames
 NC10H22+O2 = S4XC10H21+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2   EDames
 NC10H22+HO2 = PXC10H21+H2O2                  4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC10H22+HO2 = SXC10H21+H2O2                  1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2
 NC10H22+HO2 = S2XC10H21+H2O2                 1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2  EDames
 NC10H22+HO2 = S3XC10H21+H2O2                 1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2  EDames
 NC10H22+HO2 = S4XC10H21+H2O2                 1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2  EDames
 NC10H22+CH3 = PXC10H21+CH4                   9.03E-01    3.65   7153.0  ! =(C3H8+CH3) 
 NC10H22+CH3 = SXC10H21+CH4                   3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2
 NC10H22+CH3 = S2XC10H21+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2  EDames
 NC10H22+CH3 = S3XC10H21+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2  EDames
 NC10H22+CH3 = S4XC10H21+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2  EDames
! 				              
! Reactions of PXC11H21
!
!PXC11H21 = C11H20+H                            2.48E+53  -12.30  52000.0  !=(C4H7)
!PXC11H21 = C11H20+H                            1.85E+48  -10.50  51770.0  !=(C4H7) 10 atm
 PXC11H21+H(+M) = C11H22(+M)                    3.60E+13    0.00      0.0  != nC3H7+H
   LOW  / 3.01E+48  -9.32   5833.6      /
   TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC11H21+H = CH3+PXC10H19                        2.00E+21   -2.00  11000.0  !=(C4H7+H)
!PXC11H21+H = C11H20+H2                         1.80E+12    0.00      0.0  != nC3H7+H
!PXC11H21+O2 = C11H20+HO2                       1.00E+11    0.00      0.0  !=(C4H7+O2)
 PXC11H21+HO2 = CH2O+OH+PXC10H19                  2.40E+13    0.00      0.0  != nC3H7+HO2
 PXC11H21+HCO = C11H22+CO                       6.00E+13    0.00      0.0  != nC3H7+HCO
!PXC11H21+CH3 = C11H20+CH4                      1.10E+13    0.00      0.0  != nC3H7+CH3
! Alternative		                      
  C2H4+PXC9H17 = PXC11H21                         3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
! 			                      
! Reactions of C11H22
! 
! C11H22+H(+M) = PXC11H23(+M)                  1.33E+13    0.00   3260.7  ! =(C3H6+H) !BS
!                       LOW  / 6.26E+38  -6.66   7000.0      /
!                       TROE / 1.000  1000.0  1310.0 48097.0 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C11H22+H(+M) = SXC11H23(+M)                  1.33E+13    0.00   1559.8  ! =(C3H6+H) !BS 
!                       LOW  / 8.70E+42  -7.50   4721.8      /
!                       TROE / 1.000  1000.0   645.4  6844.3 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C11H22 = PXC8H17+aC3H5                       1.07E+23   -2.03  74958.0  ! 08/TSAwip  !BS
 C11H22 = C8H16+C3H6                          7.08E+06    1.65  53752.0  ! 08/TSAwip  !BS
 C11H22+H = C2H4+PXC9H19                      8.00E+21   -2.39  11180.0  ! =(C3H6+H)
 C11H22+H = C3H6+PXC8H17                      1.60E+22   -2.39  11180.0  ! Estimated
 C11H22+H = PXC11H21+H2                       6.50E+05    2.54   6756.0  ! =(C4H81+H)
 C11H22+O = PXC10H21+HCO                      3.30E+08    1.45   -402.0  !=(C4H81+O)
 C11H22+O = PXC11H21+OH                         1.50E+13    0.00   5760.0  !(C4H81+O)
 duplicate
 C11H22+O = PXC11H21+OH                         2.60E+13    0.00   4470.0  !(C4H81+O)
 duplicate
 C11H22+OH = PXC11H21+H2O                       7.00E+02    2.66    527.0  !=(C3H8+OH)
 C11H22+O2 = PXC11H21+HO2                       2.00E+13    0.00  50930.0  !=(C3H8+O2)
 C11H22+HO2 = PXC11H21+H2O2                     1.00E+12    0.00  14340.0  !=(C4H81+HO2)
 C11H22+CH3 = PXC11H21+CH4                      4.50E-01    3.65   7153.0  !=(C3H8+CH3)
!
! Reactions of PXC11H23
! 
! C2H4+PXC9H19 = PXC11H23                      3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
! Beta-scission Reactions of undecyl radicals
! 
 PXC11H23(+M) = C2H4+PXC9H19(+M)              9.12E+11    0.31  27237.8  ! From 08TSAb !BS
                       LOW  / 1.80E-57 23.463  -602.4    /
                       TROE / -2.46  206.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC11H23(+M) = PXC8H17+C3H6(+M)              6.03E+10    0.84  27820.0  ! From 08TSAb !BS
                       LOW  / 1.00E-43 18.591  -602.5     /
                       TROE / -43.32  200.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC11H23(+M) = PXC7H15+C4H81(+M)            2.04E+13    0.04  28493.6  ! From 08TSAb !BS
                       LOW  / 3.00E-43 18.430  -602.8     /
                       TROE / -34.47  208.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! 
 S2XC11H23(+M) = C10H20+CH3(+M)               9.55E+09    1.08  29387.7  ! From 08TSAb !BS
                       LOW  / 5.30E-46 19.133  -602.7     /                       
                       TROE / -34.36  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! 
 S3XC11H23(+M) = PXC6H13+C5H10(+M)            5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! 
 S3XC11H23(+M) = C9H18+C2H5(+M)               6.76E+09    1.11  27023.2  ! From 08TSAb !BS 
                       LOW  / 8.20E-43 18.276  -602.9     /
                       TROE / -30.04  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
 S4XC11H23(+M) = PXC5H11+C6H12(+M)            5.50E+11    0.55  28084.3  ! From 08TSAb !BS 
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S4XC11H23(+M) = C8H16+nC3H7(+M)              5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S5XC11H23(+M) = pC4H9+C7H14(+M)              1.10E+12    0.55  28084.3  ! From 08TSAb * 2 !BS
                       LOW  / 6.20E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!   
!
!
!
 PXC11H23+H(+M) = NC11H24(+M)                 3.60E+13    0.00      0.0  ! =(nC3H7+H) 
                       LOW  / 3.01E+48  -9.32   5833.6      /
                       TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!PXC11H23+H = PXC9H19+C2H5                    3.40E+18   -1.33    5386.0 ! =(nC3H7+H) 0.1 atm
 PXC11H23+H = PXC9H19+C2H5                    3.70E+24   -2.92   12505.0 ! =(nC3H7+H)  1 atm
!PXC11H23+H = PXC9H19+C2H5                    3.10E+27   -3.59   19059.0 ! =(nC3H7+H) 10 atm
 PXC11H23+H = C11H22+H2                       1.80E+12    0.00      0.0  ! =(nC3H7+H) 
 PXC11H23+O = PXC10H21+CH2O                   9.60E+13    0.00      0.0  ! =(nC3H7+O) 
 PXC11H23+OH = C11H22+H2O                     2.40E+13    0.00      0.0  ! =(nC3H7+OH) 
 PXC11H23+O2 = C11H22+HO2                     9.00E+10    0.00      0.0  ! =(nC3H7+O2)
 PXC11H23+HO2 = PXC10H21+OH+CH2O              2.40E+13    0.00      0.0  ! =(nC3H7+HO2) 
 PXC11H23+HCO = NC11H24+CO                    9.00E+13    0.00      0.0  ! =(nC3H7+HCO) 
 PXC11H23+CH3 = C11H22+CH4                    1.10E+13    0.00      0.0  ! =(nC3H7+CH3) 
!
! Reactions of SXC11H23
! 
!  PXC8H17+C3H6 = SXC11H23                     3.00E+11    0.00   7300.0!BS
!
 SXC11H23+H(+M) = NC11H24(+M)                 2.40E+13    0.00      0.0  ! =(iC3H7+H) 
                       LOW  / 1.70E+58 -12.08  11263.7      /
                       TROE / 0.649  1213.1  1213.1 13369.7 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!SXC11H23+H = PXC9H19+C2H5                    5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC11H23+H = PXC9H19+C2H5                    1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC11H23+H = PXC9H19+C2H5                    4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC11H23+H = C11H22+H2                       3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC11H23+O = CH3CHO+PXC9H19                  9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC11H23+OH = C11H22+H2O                     2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC11H23+O2 = C11H22+HO2                     1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC11H23+HO2 = CH3CHO+PXC9H19+OH             2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC11H23+HCO = NC11H24+CO                    1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC11H23+CH3 = CH4+C11H22                    2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!
! Reactions of S2XC11H23
!  PXC7H15+C4H81 = S2XC11H23                   3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C10H20+CH3(+M)= S2XC11H23(+M)               1.70E+11    0.00   7403.6  ! =(C3H6+CH3)!BS
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC11H23+O2 = C11H22+HO2                    1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S3XC11H23
!  PXC6H13+C5H10 = S3XC11H23                   3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!  C9H18+C2H5=S3XC11H23                        3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!
 S3XC11H23+O2 = C11H22+HO2                    1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S4XC11H23 
!  PXC5H11+C6H12 = S4XC11H23                   3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!  C8H16+nC3H7 = S4XC11H23                     3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!
 S4XC11H23+O2 = C11H22+HO2                    1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S5XC11H23
!  pC4H9+C7H14 = S5XC11H23                     3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!
 S5XC11H23+O2 = C11H22+HO2                    1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of NC11H24
!
 PXC10H21+CH3 = NC11H24                       1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 PXC9H19+C2H5 = NC11H24                       1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC8H17+nC3H7 = NC11H24                      1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC7H15+pC4H9 = NC11H24                      1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC6H13+PXC5H11 = NC11H24                    1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC11H24+H = PXC11H23+H2                      1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC11H24+H = SXC11H23+H2                      2.60E+06    2.40   4471.0  ! =(C3H8+H)*2
 NC11H24+H = S2XC11H23+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)*2   EDames
 NC11H24+H = S3XC11H23+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)*2   EDames
 NC11H24+H = S4XC11H23+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)*2   EDames
 NC11H24+H = S5XC11H23+H2                     1.30E+06    2.40   4471.0  ! =(C3H8+H)     EDames
 NC11H24+O = PXC11H23+OH                      2.50E+06    2.40   5504.0  ! !BS 86/CW (octane)
 NC11H24+O = SXC11H23+OH                      2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC11H24+O = S2XC11H23+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC11H24+O = S3XC11H23+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC11H24+O = S4XC11H23+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC11H24+O = S5XC11H23+OH                     1.25E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC11H24+OH = PXC11H23+H2O                    2.73E+07    1.81    868.3  ! 09SI/MI
 NC11H24+OH = SXC11H23+H2O                    1.41E+10    0.94    504.7  ! 09SI/MI
 NC11H24+OH = S2XC11H23+H2O                   1.14E+07    1.81  -1015.4  ! 09SI/MI
 NC11H24+OH = S3XC11H23+H2O                   1.12E+12    0.32    846.5  ! 09SI/MI
 NC11H24+OH = S4XC11H23+H2O                   1.12E+12    0.32    846.5  ! 09SI/MI
 NC11H24+OH = S5XC11H23+H2O                   5.62E+11    0.32    846.5  ! 09SI/MI
 NC11H24+O2 = PXC11H23+HO2                    4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC11H24+O2 = SXC11H23+HO2                    8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  
 NC11H24+O2 = S2XC11H23+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  EDames
 NC11H24+O2 = S3XC11H23+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  EDames
 NC11H24+O2 = S4XC11H23+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)*2  EDames
 NC11H24+O2 = S5XC11H23+HO2                   4.00E+13    0.00  47590.0  ! =(C3H8+O2)    EDames
 NC11H24+HO2 = PXC11H23+H2O2                  4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC11H24+HO2 = SXC11H23+H2O2                  1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 
 NC11H24+HO2 = S2XC11H23+H2O2                 1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 EDames
 NC11H24+HO2 = S3XC11H23+H2O2                 1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 EDames
 NC11H24+HO2 = S4XC11H23+H2O2                 1.90E+04    2.60  13910.0  ! =(C3H8+HO2)*2 EDames
 NC11H24+HO2 = S5XC11H23+H2O2                 0.95E+04    2.60  13910.0  ! =(C3H8+HO2)   EDames
 NC11H24+CH3 = PXC11H23+CH4                   9.03E-01    3.65   7153.0  ! =(C3H8+CH3) 
 NC11H24+CH3 = SXC11H23+CH4                   3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2
 NC11H24+CH3 = S2XC11H23+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 EDames
 NC11H24+CH3 = S3XC11H23+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 EDames
 NC11H24+CH3 = S4XC11H23+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3)*2 EDames
 NC11H24+CH3 = S5XC11H23+CH4                  1.50E+00    3.46   5480.0  ! =(C3H8+CH3)   EDames
!				              
! Reactions of PXC12H23
!
!PXC12H23 = C12H22+H                            2.48E+53  -12.30  52000.0  !=(C4H7)
!PXC12H23 = C12H22+H                            1.85E+48  -10.50  51770.0  !=(C4H7) 10 atm
 PXC12H23+H(+M) = C12H24(+M)                    3.60E+13    0.00      0.0  != nC3H7+H
                                       LOW  / 3.01E+48   -9.32   5833.6  /
                                    TROE / 0.498  1314.0  1314.0 50000.0 /
                        H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 PXC12H23+H = CH3+PXC11H21                        2.00E+21   -2.00  11000.0  !=(C4H7+H)
!PXC12H23+H = C12H22+H2                         1.80E+12    0.00      0.0  != nC3H7+H
!PXC12H23+O2 = C12H22+HO2                       1.00E+11    0.00      0.0  !=(C4H7+O2)
 PXC12H23+HO2 = CH2O+OH+PXC11H21                  2.40E+13    0.00      0.0  != nC3H7+HO2
 PXC12H23+HCO = C12H24+CO                       6.00E+13    0.00      0.0  != nC3H7+HCO
!PXC12H23+CH3 = C12H22+CH4                      1.10E+13    0.00      0.0  != nC3H7+CH3
! Alternative		                    
 C2H4+PXC10H19 = PXC12H23                         3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2
!			                    
! Reactions of C12H24
!
! C12H24+H(+M) = PXC12H25(+M)                  1.33E+13    0.00   3260.7  ! =(C3H6+H) !BS
!                       LOW  / 6.26E+38  -6.66   7000.0      /
!                       TROE / 1.000  1000.0  1310.0 48097.0 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! C12H24+H(+M) = SXC12H25(+M)                  1.33E+13    0.00   1559.8  ! =(C3H6+H) !BS 
!                       LOW  / 8.70E+42  -7.50   4721.8      /
!                       TROE / 1.000  1000.0   645.4  6844.3 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 C12H24 = PXC9H19+aC3H5                       1.07E+23   -2.03  74958.0  ! 08/TSAwip  !BS
 C12H24 = C9H18+C3H6                          7.08E+06    1.65  53752.0  ! 08/TSAwip  !BS
 C12H24+H = C2H4+PXC10H21                     8.00E+21   -2.39  11180.0  ! =(C3H6+H)
 C12H24+H = C3H6+PXC9H19                      1.60E+22   -2.39  11180.0  ! Estimated
 C12H24+H = PXC12H23+H2                       6.50E+05    2.54   6756.0  ! =(C4H81+H)
 C12H24+O = PXC11H23+HCO                      3.30E+08    1.45   -402.0  !=(C4H81+O)
 C12H24+O = PXC12H23+OH                       1.50E+13    0.00   5760.0  !(C4H81+O)
 duplicate		                      
 C12H24+O = PXC12H23+OH                       2.60E+13    0.00   4470.0  !(C4H81+O)
 duplicate		                                     
 C12H24+OH = PXC12H23+H2O                     7.00E+02    2.66    527.0  !=(C3H8+OH)
 C12H24+O2 = PXC12H23+HO2                     2.00E+13    0.00  50930.0  !=(C3H8+O2)
 C12H24+HO2 = PXC12H23+H2O2                   1.00E+12    0.00  14340.0  !=(C4H81+HO2)
 C12H24+CH3 = PXC12H23+CH4                    4.50E-01    3.65   7153.0  !=(C3H8+CH3)
!
! Reactions of PXC12H25
!
! C2H4+PXC10H21 = PXC12H25                     3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
! Beta-scission Reactions of dodecyl radicals
!
 PXC12H25(+M) = C2H4+PXC10H21(+M)             9.12E+11    0.31  27237.8  ! From 08TSAb !BS
                       LOW  / 1.80E-57 23.463  -602.4    /
                       TROE / -2.46  206.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 SXC12H25(+M) = C3H6+PXC9H19(+M)              6.03E+10    0.84  27820.0  ! From 08TSAb !BS
                       LOW  / 1.00E-43 18.591  -602.5     /
                       TROE / -43.32  200.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC12H25(+M) = C4H81+PXC8H17(+M)            2.04E+13    0.04  28493.6  ! From 08TSAb !BS
                       LOW  / 3.00E-43 18.430  -602.8     /
                       TROE / -34.47  208.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC12H25(+M) = C11H22+CH3(+M)               9.55E+09    1.08  29387.7  ! From 08TSAb !BS
                       LOW  / 5.30E-46 19.133  -602.7     /
                       TROE / -34.36  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC12H25(+M) = C5H10+PXC7H15(+M)            5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S3XC12H25(+M) = C10H20+C2H5(+M)              6.76E+09    1.11  27023.2  ! From 08TSAb !BS
                       LOW  / 8.20E-43 18.276  -602.9     /
                       TROE / -30.04  210.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
 S4XC12H25(+M) = C6H12+PXC6H13(+M)            5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S4XC12H25(+M) = C9H18+nC3H7(+M)              5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S5XC12H25(+M) = C7H14+PXC5H11(+M)            5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S5XC12H25(+M) = C8H16+pC4H9(+M)              5.50E+11    0.55  28084.3  ! From 08TSAb !BS
                       LOW  / 3.10E-43 18.418  -602.9     /
                       TROE / -32.13  207.0  28.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!
!
! 
PXC12H25+H(+M) = NC12H26(+M)                 3.60E+13    0.00      0.0  ! =(nC3H7+H) 
                       LOW  / 3.01E+48  -9.32   5833.6      /
                       TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
! Reactions of SXC12H25
! 
!  C3H6+PXC9H19 = SXC12H25                    3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2  !BS
! S4XC12H25 = PXC12H25                        2.00E+11    0.00   18117.0 ! 
!SXC12H25+H = PXC10H21+C2H5                   5.90E+23   -2.81  10009.0  ! =(iC3H7+H) 
 SXC12H25+H = PXC10H21+C2H5                   1.40E+28   -3.94  15916.0  ! =(iC3H7+H) 
!SXC12H25+H = PXC10H21+C2H5                   4.00E+24   -2.83  17542.0  ! =(iC3H7+H) 
 SXC12H25+H = C12H24+H2                       3.20E+12    0.00      0.0  ! =(iC3H7+H) 
 SXC12H25+O = CH3CHO+PXC10H21                 9.60E+13    0.00      0.0  ! =(iC3H7+O) 
 SXC12H25+OH = C12H24+H2O                     2.40E+13    0.00      0.0  ! =(iC3H7+OH) 
 SXC12H25+O2 = C12H24+HO2                     1.30E+11    0.00      0.0  ! =(iC3H7+O2)
 SXC12H25+HO2 = CH3CHO+PXC10H21+OH            2.40E+13    0.00      0.0  ! =(iC3H7+HO2) 
 SXC12H25+HCO = NC12H26+CO                    1.20E+14    0.00      0.0  ! =(iC3H7+HCO)
 SXC12H25+CH3 = CH4+C12H24                    2.20E+14   -0.68      0.0  ! =(iC3H7+CH3)
!
! Reactions of S2XC12H25
!  C4H81+PXC8H17 = S2XC12H25                  3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2 !BS
!  C11H22+CH3(+M) = S2XC12H25(+M)             1.70E+11    0.00   7403.6  ! =(C3H6+CH3) !BS
!                       LOW  / 2.31E+28  -4.27   1831.0      /
!                       TROE / 0.565 60000.0   534.2  3007.2 /
!    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 S2XC12H25+O2 = C12H24+HO2                  1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S3XC12H25
!  C5H10+PXC7H15 = S3XC12H25                  3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C10H20+C2H5 = S3XC12H25                    3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
  S3XC12H25+O2 = C12H24+HO2                  1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S4XC12H25
!  C6H12+PXC6H13 = S4XC12H25                  3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C9H18+nC3H7 = S4XC12H25                    3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
  S4XC12H25+O2 = C12H24+HO2                  1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
! Reactions of S5XC12H25
!  C7H14+PXC5H11 = S5XC12H25                  3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!  C8H16+pC4H9 = S5XC12H25                    3.00E+11    0.00   7300.0  ! =(C2H4+C2H5)*2!BS
!
 S5XC12H25+O2 = C12H24+HO2                  1.30E+11    0.00      0.0  ! =(iC3H7+O2)
!
!H_1,2 shift:
!PXC12H25 = SXC12H25                         3.56E+10     0.88  39000.0!BS
!PXC11H23 = SXC11H23                         3.56E+10     0.88  39000.0!BS
!PXC10H21 = SXC10H21                         3.56E+10     0.88  39000.0!BS 
!PXC9H19 = SXC9H19                           3.56E+10     0.88  39000.0!BS
!PXC8H17 = SXC8H17			     3.56E+10     0.88  39000.0!BS
!PXC7H15 = SXC7H15			     3.56E+10     0.88  39000.0!BS
!PXC6H13 = SXC6H13			     3.56E+10     0.88  39000.0!BS
!PXC5H11 = SXC5H11			     3.56E+10     0.88  39000.0!BS
!
!H_1,3 shift:
!PXC12H25 = S2XC12H25	                     3.80E+10     0.67  37500.0!BS
!PXC11H23 = S2XC11H23		             3.80E+10     0.67  37500.0!BS
!PXC10H21 = S2XC10H21		             3.80E+10     0.67  37500.0!BS
!PXC9H19 = S2XC9H19		             3.80E+10     0.67  37500.0!BS
!PXC8H17 = S2XC8H17		             3.80E+10     0.67  37500.0!BS
!PXC7H15 = S2XC7H15		             3.80E+10     0.67  37500.0!BS
!PXC6H13 = S2XC6H13		             3.80E+10     0.67  37500.0!BS
!PXC5H11 = S2XC5H11		             3.80E+10     0.67  37500.0!BS
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Primary -> Secondary H_1,4 shift: !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
PXC12H25(+M) = S3XC12H25(+M)	             5.13E+00     3.23  16847.8!BS 08TSAb
                        LOW  / 5.10E-44  18.749   -602.9    /
                        TROE / -20.15 205.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC11H23(+M) = S3XC11H23(+M)	             5.13E+00     3.23  16847.8!BS 08TSAb
                        LOW  / 5.10E-44  18.749   -602.9    /
                        TROE / -20.15 205.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC10H21(+M) = S3XC10H21(+M)		     5.13E+00     3.23  16847.8!BS 08TSAb
                        LOW  / 5.10E-44  18.749   -602.9    /
                        TROE / -20.15 205.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC9H19(+M) = S3XC9H19(+M)	             5.13E+00     3.23  16847.8!BS 08TSAb
                        LOW  / 5.10E-44  18.749   -602.9    /
                        TROE / -20.15 205.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
PXC8H17(+M) = S3XC8H17(+M)	             5.13E+00     3.23  16847.8!BS 08TSAb
                        LOW  / 5.10E-44  18.749   -602.9    /
                        TROE / -20.15 205.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
PXC7H15(+M) = S3XC7H15(+M)	             1.17E+02     2.85  17247.2!BS 08TSAa
                        LOW  / 1.90E-31  14.521   -599.0   /
                        TROE / -8.10 259.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC6H13(+M) = S2XC6H13(+M)                   6.98E+00     3.20  16557.7!BS 07TSA
                        LOW  / 2.00E-26  12.833   -600.7    /
                        TROE / -10.14 307.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC5H11(+M) = SXC5H11(+M)                    1.00E+12     0.00  22453.1!BS 98TSA
                        LOW  / 2.00E-26  12.833   -600.7    /
                        TROE / -10.14 307.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Primary -> Secondary H_1,5 shift: !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
PXC12H25(+M) = S4XC12H25(+M)                 2.29E+01     2.82  10755.6!BS 08TSAb
                        LOW  / 9.90E-38  17.215   -603.0    /
                        TROE / -16.33 200.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC11H23(+M) = S4XC11H23(+M)	             2.29E+01     2.82  10755.6!BS 08TSAb
                        LOW  / 9.90E-38  17.215   -603.0    /
                        TROE / -16.33 200.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC10H21(+M) = S4XC10H21(+M)	             2.29E+01     2.82  10755.6!BS 08TSAb
                        LOW  / 9.90E-38  17.215   -603.0    /
                        TROE / -16.33 200.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
PXC9H19(+M) = S4XC9H19(+M)	             2.29E+01     2.82  10755.6!BS 08TSAb
                        LOW  / 9.90E-38  17.215   -603.0    /
                        TROE / -16.33 200.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC8H17(+M) = S3XC8H17(+M)                   2.29E+01     2.82  10755.6!BS 08TSAb
                        LOW  / 9.90E-38  17.215   -603.0    /
                        TROE / -16.33 200.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
PXC7H15(+M) = S2XC7H15(+M)                   6.76E+02     2.39  10405.9!BS 08TSAa
                        LOW  / 5.40E-26  13.202   -602.6    /
                        TROE / -25.39 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC6H13(+M) = SXC6H13(+M)                    1.83E+02     2.55  10960.3!BS 07TSA
                        LOW  / 5.40E-26  13.087   -602.6    /
                        TROE / -25.38 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Primary -> Secondary H_1,6 shift !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
PXC12H25(+M) = S5XC12H25(+M)	             2.95E+00     3.08  11015.9!BS 08TSAb
                        LOW  / 3.90E-34  15.855   -606.2    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC11H23(+M) = S5XC11H23(+M)		     2.95E+00     3.08  11015.9!BS 08TSAb
                        LOW  / 3.90E-34  15.855   -606.2    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC10H21(+M) = S4XC10H21(+M)		      2.95E+00     3.08  11015.9!BS 08TSAb
                        LOW  / 3.90E-34  15.855   -606.2    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
PXC9H19(+M) = S3XC9H19(+M)                    2.95E+00     3.08  11015.9!BS 08TSAb
                        LOW  / 3.90E-34  15.855   -606.2    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
PXC8H17(+M) = S2XC8H17(+M)	             2.95E+00     3.08  11015.9!BS 08TSAb
                        LOW  / 3.90E-34  15.855   -606.2    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
PXC7H15(+M) = SXC7H15(+M)  	             2.45E+02     2.51  12502.2!BS 08TSAa
                        LOW  / 3.30E-30  14.309   -602.5    /
                        TROE / -27.19 220.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Secondary -> Secondary H_1,4 shift !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
S3XC12H25(+M) = S5XC12H25(+M)                 1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
S2XC12H25(+M) = S5XC12H25(+M)                 1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
SXC12H25(+M) = S4XC12H25(+M)                  1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
S3XC11H23(+M) = S4XC11H23(+M)                 1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
S2XC11H23(+M) = S5XC11H23(+M)                 1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
SXC11H23(+M) = S4XC11H23(+M)                  1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
S4XC10H21(+M) = S2XC10H21(+M)                 1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
S4XC10H21(+M) = SXC10H21(+M)                   1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
SXC9H19(+M) = S4XC9H19(+M)                     1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
S3XC9H19(+M) = S2XC9H19(+M)                    1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
SXC8H17(+M) = S3XC8H17(+M)                     1.41E+00     3.32  16144.4!BS 08TSAb
                        LOW  / 5.20E-30  14.079   -606.4    /
                        TROE / -21.93 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
SXC7H15(+M) = S2XC7H15(+M)                     2.45E+01     3.09  18107.5!BS 08TSAa
                        LOW  / 1.30E-32  14.834   -602.6    /
                        TROE / -28.41 219.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Secondary -> Secondary H_1,5 shift !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
SXC12H25(+M) = S5XC12H25(+M)                   1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
S2XC12H25(+M) = S5XC12H25(+M)                  1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
S3XC12H25(+M) = S4XC12H25(+M)                  1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
SXC11H23(+M) = S5XC11H23(+M)                   1.86E+00     3.27  13197.7!BS 08TSAb 
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
S2XC11H23(+M) = S4XC11H23(+M)                  1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
S2XC10H21(+M) = S3XC10H21(+M)                  1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
SXC10H21(+M) = S4XC10H21(+M)                   1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
SXC9H19(+M) = S2XC9H19(+M)                     1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
SXC8H17(+M) = S2XC8H17(+M)                     1.86E+00     3.27  13197.7!BS 08TSAb
                        LOW  / 3.00E-27  13.481   -606.5    /
                        TROE / -19.70 215.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Secondary -> Secondary H_1,6 shift !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
S2XC12H25(+M) = S4XC12H25(+M)                  2.95E+00     3.08  12865.9!BS Est (see notes)
                        LOW  / 3.90E-34  15.855   1243.8    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
! 
SXC12H25(+M) = S5XC12H25(+M)                   2.95E+00     3.08  12865.9!BS Est (see notes)
                        LOW  / 3.90E-34  15.855   1243.8    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
S2XC11H23(+M) = S3XC11H23(+M)                  2.95E+00     3.08  12865.9!BS Est (see notes)
                        LOW  / 3.90E-34  15.855   1243.8    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
SXC11H23(+M) = S4XC11H23(+M)                   2.95E+00     3.08  12865.9!BS Est (see notes)
                        LOW  / 3.90E-34  15.855   1243.8    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
SXC10H21(+M) = S3XC10H21(+M)                   2.95E+00     3.08  12865.9!BS Est (see notes)
                        LOW  / 3.90E-34  15.855   1243.8    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
SXC9H19(+M) = S2XC9H19(+M)                    2.95E+00     3.08  12865.9!BS Est (see notes)
                        LOW  / 3.90E-34  15.855   1243.8    /
                        TROE / -15.24 216.0   28.0  5000000 /
     H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
duplicate
!
!
! Reactions of NC12H26
!
 PXC11H23+CH3 = NC12H26                       1.93E+14   -0.32      0.0  !  =(CH3+C2H5) 
 PXC10H21+C2H5 = NC12H26                      1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC9H19+nC3H7 = NC12H26                      1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC8H17+pC4H9 = NC12H26                      1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC7H15+PXC5H11 = NC12H26                    1.88E+14   -0.50      0.0  ! =(C2H5+C2H5)
 PXC6H13+PXC6H13 = NC12H26                    9.40E+14   -0.50      0.0  ! =(C2H5+C2H5)
 NC12H26+H = PXC12H25+H2                      1.30E+06    2.54   6756.0  ! =(C3H8+H)
 NC12H26+H = SXC12H25+H2                      2.60E+06    2.40   4471.0  ! =(C3H8+H)   EDames
 NC12H26+H = S2XC12H25+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)   EDames
 NC12H26+H = S3XC12H25+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)   EDames
 NC12H26+H = S4XC12H25+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)   EDames
 NC12H26+H = S5XC12H25+H2                     2.60E+06    2.40   4471.0  ! =(C3H8+H)   EDames
 NC12H26+O = PXC12H25+OH                      2.50E+06    2.40   5504.0  ! !BS 86/CW (octane)
 NC12H26+O = SXC12H25+OH                      2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC12H26+O = S2XC12H25+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC12H26+O = S3XC12H25+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC12H26+O = S4XC12H25+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC12H26+O = S5XC12H25+OH                     2.30E+05    2.60   1768.0  ! !BS 86/CW (octane)
 NC12H26+OH = PXC12H25+H2O                    2.73E+07    1.81    868.3  ! 09SI/MI
 NC12H26+OH = SXC12H25+H2O                    1.41E+10    0.94    504.7  ! 09SI/MI
 NC12H26+OH = S2XC12H25+H2O                   1.14E+07    1.81  -1015.4  ! 09SI/MI
 NC12H26+OH = S3XC12H25+H2O                   1.12E+12    0.32    846.5  ! 09SI/MI
 NC12H26+OH = S4XC12H25+H2O                   1.12E+12    0.32    846.5  ! 09SI/MI
 NC12H26+OH = S5XC12H25+H2O                   1.12E+12    0.32    846.5  ! 09SI/MI
 NC12H26+O2 = PXC12H25+HO2                    4.00E+13    0.00  50930.0  ! =(C3H8+O2) 
 NC12H26+O2 = SXC12H25+HO2                    8.00E+13    0.00  47590.0  ! =(C3H8+O2)  EDames 
 NC12H26+O2 = S2XC12H25+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)  EDames
 NC12H26+O2 = S3XC12H25+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)  EDames
 NC12H26+O2 = S4XC12H25+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)  EDames
 NC12H26+O2 = S5XC12H25+HO2                   8.00E+13    0.00  47590.0  ! =(C3H8+O2)  EDames
 NC12H26+HO2 = PXC12H25+H2O2                  4.76E+04    2.55  16490.0  ! =(C3H8+HO2) 
 NC12H26+HO2 = SXC12H25+H2O2                  19.0E+03    2.60  13910.0  ! =(C3H8+HO2) EDames
 NC12H26+HO2 = S2XC12H25+H2O2                 19.0E+03    2.60  13910.0  ! =(C3H8+HO2) EDames
 NC12H26+HO2 = S3XC12H25+H2O2                 19.0E+03    2.60  13910.0  ! =(C3H8+HO2) EDames
 NC12H26+HO2 = S4XC12H25+H2O2                 19.0E+03    2.60  13910.0  ! =(C3H8+HO2) EDames
 NC12H26+HO2 = S5XC12H25+H2O2                 19.0E+03    2.60  13910.0  ! =(C3H8+HO2) EDames
 NC12H26+CH3 = PXC12H25+CH4                   9.03E-01    3.65   7153.0  ! =(C3H8+CH3) EDames
 NC12H26+CH3 = SXC12H25+CH4                   3.00E+00    3.46   5480.0  ! =(C3H8+CH3) EDames
 NC12H26+CH3 = S2XC12H25+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3) EDames
 NC12H26+CH3 = S3XC12H25+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3) EDames
 NC12H26+CH3 = S4XC12H25+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3) EDames
 NC12H26+CH3 = S5XC12H25+CH4                  3.00E+00    3.46   5480.0  ! =(C3H8+CH3) EDames
!
!
! Low T of C12
!
PXC12H25 + O2 = PC12H25O2                    4.00E+11    0.00      0.0 !BS
SXC12H25 + O2 = PC12H25O2                    4.00E+11    0.00      0.0 !BS
S2XC12H25 + O2 = PC12H25O2                   4.00E+11    0.00      0.0 !BS
S3XC12H25 + O2 = PC12H25O2                   4.00E+11    0.00      0.0 !BS
S4XC12H25 + O2 = PC12H25O2                   4.00E+11    0.00      0.0 !BS
S5XC12H25 + O2 = PC12H25O2                   4.00E+11    0.00      0.0 !BS
PC12H25O2 => P12OOHX2                        2.00E+12    0.00  17017.2 
P12OOHX2 => PC12H25O2                        1.00E+11    0.00  12500.0 
P12OOHX2 = C12H24 + HO2                      8.50E+12    0.00  25573.6
P12OOHX2 + O2 = SOO12OOH                     4.00E+11    0.00      0.0 !BS 
SOO12OOH = OC12OOH + OH                      1.50E+12    0.00      0.0
OC12OOH = CH2O + 4C2H4 + C2H5 + OH + CO      7.00E+14    0.00  42065.0
!
END
!
!===============================================================================
            References and Notes:
!-------------------------------------------------------------------------------

GRI	  - Frenklach, M.; Wang, H.; Goldenberg, M.; Smith, G.P.; Golden, D.M.;
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	    GRI-Mech: An Optimized Chemical Reaction Mechanism for Methane
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GRI#	  - the rate constants for these reactions were taken with the branching
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GRI##	  - reaction products were modified from the GRI-mech1.2 mechanism,
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GRI###	  - reaction products were modified from the GRI-mech1.2

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95PAU/VOL - Pauwels, J-F.; Volponi, J. V.; Miller, J.A. Combust.Sci.Tech. 1995,
            110/111, 249.

95MEB/LIN - Lin, M.C. and Mebel, A.M.; J. Phys. Organic Chem. 1995, 8, 407-420

96ADU/BLU - Adusei, G.Y.; Blue, A.S.; Fontijn, A. J.Phys.Chem. 1996, 100, 16921.

96ADU/BLU#- total rate constant for pC3H4+O reaction was taken from the
            reference 96ADU/BLU, the products and the branching ratio were
	    taken from the reference 98DAV/LAW

96HEC/HIP - Heckmann, E.; Hippler, H.; Troe, J. C. 26th symposium 
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1996, p.543.

96HID/HIG - Hidaka, Y.; Higashihara, T.; Ninomiya, N.; Masaoka, H.; Nakamura,
            T.; Kawano, H. Int.J.Chem.Kin. 1996, 28, 137z. 

96KNY/BEN - Knyazev, V.D.; Benscura, A.; Stoliarov, S.I.; Slagle, I.R.
 	    J.Phys.Chem. 1996, 100, 11343.

96KNY/SLA - Knyazev, V.D.; Slagle, I.R. J.Phys.Chem. 1996, 100, 16899.

96MEB/DIA - Mebel, A.M.; Diau, E.W.G.; Lin, M.C.; Morokuma, K. J.Phys.Chem.
	    1996, 118, 9759.

96WUR/McG - Wurmel, J.; McGuinness, M.; Simmie, J.M. J.Chem.Soc.,Faraday
            Trans. 1996, 92(5), 715.

97JON/BAC - Jones, J.; Bacskay, G.B.; Mackie, J.C. J.Phys.Chem.A 1997, 101,
            7105. 

97MEB/LIN - Mebel, A.M.; Lin, M.C.; Yu, T.; Morokuma, K. J.Phys.Chem.A 1997,
            101, 3189. 

97WAN/FRA - Wang, H.; Frenklach, M. Combust.Flame 1997, 110, 173.

98DAV/LAW - Davis, S.G.; Law, C.K.; Wang, H. 27th Symposium (international) on
            Combustion, The Combustion Institute, Pittsburgh, 1998, p.305. 

98KER/KIE - Kern, R.D.; Zhang, Q.; Yao, J.; Jursic B.S.; Tranter, R.S.; Greybill, M.A.; 
            Kiefer, J.H. 27th Symposium (international) on Combustion, 
            The Combustion Institute, 1998  

98HOR/FRA - Horn C, Roy K, Frank P and Just T; 27th Symposium (international) on
            Combustion, The Combustion Institute, Pittsburgh, 1998, p.321
98TSA     - Tsang, W.; Walker, J.A., Manion, J.A. 27th Symposium (in	    
            ternational) on Combustion, The combustion Institute, 1998, p.135.
            Fallof assumed similar to that of analogous reactions of hexyl.

99DAV/LAW - Davis, S.G.; Law, C.K.; Wang, H. J.Phys.Chem. 1999, in press.

99LAS/WAN - Laskin, A.; Wang. H. Chem.Phys.Lett., 1999, 303, 43.

99TOK/LIN - Tokmakov, I.V.; Park, J; Gheyas, S; Lin, M.C. J. Phys. Chem.A 1999, 
            103, 3636

00CHO/LIN - Choi, Y.M.; Xia, W.S.; Park, J.; Lin, M.C. J. Phys. Chem.A 2000, 
            104, 7030 
00NAM/LIN - Nam, Gi-Jung; Xia, Wensheng; Park, J.; Lin, M.C. J. Phys. Chem.A
            2000, 104, 1233
00HAI/FRE - Wang, H.; Laskin, A.; Moriarty, N.; Frenklach, M. 28th Symposium (in	    
            ternational) on Combustion, The combustion Institute, 2000. 
96DAV/WAN - Davis, S.G.; Wang, H.; Brezinsky, K.; Law, C.K.  26th Symposium 
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1996, p.1025. 
01PAR/LIN - Park, J,; Gheyas, S.; Lin, M.C. Int. J. Chem. Kinet. 2001, 33, 64
01TOK/LIN - Tokmakov, I.V.; Lin, M.C. Int. J. Chem. Kinet. 2001, 33, 633-653.
01MEB/LIN - Mebel A.M., Lin M.C., Chakraborty D., Park J., Lin S.H. and Lee Y.T.
            ; J.Chem. Phys. 114, 19, 2001, 8421. 
02MOS/LIN - Moskaleva L.V. and Lin M.C. 29th Combustion Sympusium, 2002, 1319.
05/VAS/DAV - Vasudevan, V.; Davidson, D. F.; Hanson, R. K. J. Phys. Chem. A 2005, 109, 3352 

05/TO-BU  - Touchard, S.; Buda, F.; Dayma, G.; Glaude, P.A.; Fournet, R., Battin-Leclerc, F., Int. J. Chem. Kinet. 2005, 37, 451-463
 
07TSA     - Tsang, W.; Walker, J.A., Manion, J.A. Proceedings of the Combustion Institute, 31 (2007) pp.141-148
08TSAa    - Tsang, W.; Awan, I.A.; McGivern, W.S.; Manion, J.A.; Soot precursor from real fuels: 
            the unimolecular reaction of fuel radicals.
08TSAb    - Tsang, W.; McGivern, W.S.; Manion, J.A.; Proceedings of the Combustion Institute, 32 (2009) in press.

08/TSAwip - Tsang, W.;PRIME: “A DATABASE FOR THE PYROLYSIS OF HEPTANE AND SMALLER HYDROCARBON FUELS; IMPLICATIONS FOR REALISTIC FUELS”
            Work-in-progress poster, International Symposium on Combustion, 2008, Montreal, Canada. 

09/SI-MI  - Sivaramakrishnan, R and Michael J.V., J. Phys. Chem. A, 2009, 113, 5047-5060

Est       - 1.85 kcal/mol added to the activation energy of 1-octyl 1,6 H-shift (primary <=> secondary) kinf and k0 rate constants. 
              This value comes from the difference of the slopes (lnk=f(1/T)) of rate constants for 1,5 H-shift 
              for 1-octyl = 4-octyl (primary <=> secondary) and 2-octyl = 3-octyl (secondary<=>secondary) from 08TSAb