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3-Tert-butylbenzoic 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-400.8 ± 1.9kJ/molCcbColomina, Jimenez, et al., 1979 

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-504.3 ± 1.6kJ/molCcbColomina, Jimenez, et al., 1979 
Quantity Value Units Method Reference Comment
Deltacsolid-5825.08 ± 0.75kJ/molCcbColomina, Jimenez, et al., 1979Corresponding «DELTA»fsolid = -504.34 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub103.5kJ/molN/AColomina, Jimenez, et al., 1979DRB

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
103.5 ± 1.0326.5VColomina, Jimenez, et al., 1979ALS
103. ± 0.5327.MEColomina, Jimenez, et al., 1979Based on data from 318. - 335. K.; AC

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

C11H13O2- + Hydrogen cation = 3-Tert-butylbenzoic acid

By formula: C11H13O2- + H+ = C11H14O2

Quantity Value Units Method Reference Comment
Deltar1419. ± 9.2kJ/molG+TSKulhanek, Decouzon, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Deltar1390. ± 8.4kJ/molIMREKulhanek, Decouzon, et al., 1999gas phase

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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., 1979
Colomina, M.; Jimenez, P.; Perez-Ossorio, R.; Turrion, C., Thermochemical properties of benzoic acid derivatives. VIII. Enthalpies of combustion and formation of o-, m-, and p-t-butylbenzoic acids, J. Chem. Thermodyn., 1979, 11, 1179-1184. [all data]

Kulhanek, Decouzon, et al., 1999
Kulhanek, J.; Decouzon, M.; Gal, J.F.; Maria, P.C.; Fiedler, P.; Jimenez, P.; Roux, M.V.; Exner, O., Steric effects and steric hindrance to resonance in tert-butylbenzoic acids in the gas phase and in solution, Eur. J. Org., 1999, Chem., 7, 1589-1594, https://doi.org/10.1002/(SICI)1099-0690(199907)1999:7<1589::AID-EJOC1589>3.0.CO;2-S . [all data]


Notes

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