Thermochemistry database in FFCM-2

The table below lists the thermochemical properties for all 96 species in FFCM-2.

Reliable self-consistent thermodynamics for computing (and evaluating) reverse rate constants are taken from the available Third Millennium Active Thermochemical Tables (ATcT) ¹$^{,}$². Enthalpy of C₂H₅O₂, C₂H₅OOH, IC₃H₇O₂ and IC₃H₇OOH are taken from a recent review by JPL ³. The thermochemical data are expressed in the format of 7-coefficient NASA polynomial, and can be downloaded here.

In the table below, selected thermochemical properties are listed for all species, where

• $\Delta_f^o H_{298}$: enthalpy of formation at temperature 298 K, with unit kcal/mol,
• $S^o_{298}$: entropy at temperature 298 K, with unit cal/mol-K,
• $C_p$: heat capacity at a given temperature, with unit cal/mol-K.

Note that H₂, O₂, N₂, argon (Ar) and helium (He) are the reference elements, and their enthalpy of formations are zero.

References

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