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2-Tert-butylbenzoic acid

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-376.1 ± 2.1kJ/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-476.2 ± 1.9kJ/molCcbColomina, Jimenez, et al., 1979 
Quantity Value Units Method Reference Comment
Deltacsolid-5853.2 ± 1.2kJ/molCcbColomina, Jimenez, et al., 1979Corresponding «DELTA»fsolid = -476.18 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
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
Tfus341.7KN/ACrawford and Stewart, 1952Uncertainty assigned by TRC = 2. K; TRC
Tfus353.7KN/ASerijan, Hipsher, et al., 1949Uncertainty assigned by TRC = 1. K; TRC
Tfus353.7KN/ASerijan, Wise, et al., 1949Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltasub100.1kJ/molN/AColomina, Jimenez, et al., 1979DRB

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
100.1 ± 0.8314.6VColomina, Jimenez, et al., 1979ALS
99.8 ± 0.4315.MEColomina, Jimenez, et al., 1979Based on data from 306. - 322. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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

C11H13O2- + Hydrogen cation = 2-Tert-butylbenzoic acid

By formula: C11H13O2- + H+ = C11H14O2

Quantity Value Units Method Reference Comment
Deltar1407. ± 9.2kJ/molG+TSKulhanek, Decouzon, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Deltar1378. ± 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]

Crawford and Stewart, 1952
Crawford, M.; Stewart, F.H.C., The Preparation of Some Alkyl-substituted Benzoic Acids, J. Chem. Soc., 1952, 1952, 4443-7. [all data]

Serijan, Hipsher, et al., 1949
Serijan, K.T.; Hipsher, H.F.; Gibbons, L.C., O-, m- and p-t-butyltoluenes, J. Am. Chem. Soc., 1949, 71, 873-5. [all data]

Serijan, Wise, et al., 1949
Serijan, K.T.; Wise, P.H.; Gibbons, L.C., The physical properties of five isomeric methyl-t-butylcyclohexanes, J. Am. Chem. Soc., 1949, 71, 2265-6. [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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