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3-(Trifluoromethyl)benzoic acid

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Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid-255.66 ± 0.28kcal/molCcrGood, Lacina, et al., 1962Corrected for CODATA value of «DELTA»fH; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-795.85 ± 0.14kcal/molCcrGood, Lacina, et al., 1962Corrected for CODATA value of «DELTA»fH; ALS
Deltacsolid-807.1kcal/molCcbSwarts, 1919Not corrected for CODATA value of «DELTA»fH; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
53.44298.15Good, Lacina, et al., 1962DH

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C8H4F3O2- + Hydrogen cation = 3-(Trifluoromethyl)benzoic acid

By formula: C8H4F3O2- + H+ = C8H5F3O2

Quantity Value Units Method Reference Comment
Deltar332.2 ± 2.1kcal/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar325.2 ± 2.0kcal/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Good, Lacina, et al., 1962
Good, W.D.; Lacina, J.L.; Scott, D.W.; McCullough, J.P., Combustion calorimetry of organic fluorine compounds. The heats of combustion and formation of the difluorobenzenes, 4-fluorotoluene and m-trifluorotoluic acid, J. Phys. Chem., 1962, 66, 1529-1532. [all data]

Swarts, 1919
Swarts, F., Etudes thermochimiques sur les combinaisons organiques fluorees, J. Chim. Phys., 1919, 17, 3-70. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References