Ideal gas thermodynamic properties of CH4−(a+b+c+d)FaClbBrcId Halomethanes

1 October 1978

journal article
research article
Published by AIP Publishing in Journal of Physical and Chemical Reference Data

Vol. 7 (4) , 1285-1308
https://doi.org/10.1063/1.555585

Abstract

The available molecular parameters, fundamental frequencies, and enthalpies of formation at 298.15K (ΔHf ° (298) for halomethanes of the type CH_{4−(a+b+c+d)}F_aCl_bBr_cI_d have been critically evaluated and recommended values selected. Molecular parameters and ΔHf ° (298) for some halomethanes have been estimated as the experimental values for these compounds are not available. This information has been utilized to calculate the ideal gas thermodynamic properties C_p^°, S^°, H^°−H^°₀,−(G^°−H₀^°)/T, ΔHf °, ΔGf °, and logKf from 0 to 1500 K and at a pressure of one atmosphere using the rigid rotor‐harmonic oscillator approximation for the following compounds: CH₂FBr, CH₂ClBr, CH₂CH, CH₂BrI, CHF₂Br, CHFClBr, CHFBr₂, CHCl₂Br, CHClBr₂, CF₃Br, CF₃I, CF₂ClBr, CF₂Br₂, , CF₂I₂, CFCl₂Br, CFClBr₂, CFBr₃, CCl₂Br, CCl₃I, CCl₂Br₂, CClBr₃.

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