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3,4,5-Trimethylbenzoic acid

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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-93.16 ± 0.45kcal/molCmColomina, Jimenez, et al., 1987see Colomina, Turrion, et al., 1964

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-119.7 ± 0.43kcal/molCmColomina, Jimenez, et al., 1987see Colomina, Turrion, et al., 1964
Quantity Value Units Method Reference Comment
Deltacsolid-1230.7 ± 0.22kcal/molCmColomina, Jimenez, et al., 1987see Colomina, Turrion, et al., 1964; Corresponding «DELTA»fsolid = -119.7 kcal/mol (simple calculation by NIST; no Washburn corrections)

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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

C10H11O2- + Hydrogen cation = 3,4,5-Trimethylbenzoic acid

By formula: C10H11O2- + H+ = C10H12O2

Quantity Value Units Method Reference Comment
Deltar341.3 ± 2.2kcal/molG+TSDecouzon, Exner, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Deltar334.2 ± 2.0kcal/molIMREDecouzon, Exner, et al., 1996gas phase

References

Go To: Top, Gas phase thermochemistry data, 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.

Colomina, Jimenez, et al., 1987
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of benzoic acid derivatives. XV. Vapour pressures and enthalpies of sublimation and formation of the six trimethylbenzoic acids, J. Chem. Thermodyn., 1987, 19, 1139-1144. [all data]

Colomina, Turrion, et al., 1964
Colomina, M.; Turrion, C.; Boned, M.L.; Panea, M., Investigaciones termoquimicas sobre los acidos alquilbenzoicos. III. Acidos trimetilbenzoicos, Anal. Fisc. Quim. B, 1964, 60, 619-626. [all data]

Decouzon, Exner, et al., 1996
Decouzon, M.; Exner, O.; Gal, J.-F.; Maria, P.-C., Non-classical Buttressing Effect: Gas-phase Ionization of Some Methyl Substituted Benzoic Acids, J. Chem. Soc. Perkin Trans., 1996, 2, 4, 475, https://doi.org/10.1039/p29960000475 . [all data]


Notes

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