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2,3,4,5-Tetramethylbenzoic acid

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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-398.7 ± 2.3kJ/molCmColomina, Jimenez, et al., 1988see Colomina, Perez-Ossorio, 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 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-514.6 ± 2.2kJ/molCmColomina, Jimenez, et al., 1988see Colomina, Perez-Ossorio, et al., 1964; ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
249.5298.15Colomina, Jimenez, et al., 1988DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub115.9 ± 0.6kJ/molVColomina, Jimenez, et al., 1988see Colomina, Perez-Ossorio, et al., 1964; ALS
Deltasub115.9kJ/molN/AColomina, Jimenez, et al., 1988DRB
Deltasub115.9 ± 0.6kJ/molMEColomina, Jimenez, et al., 1988Based on data from 337. - 360. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
113.4 ± 0.6348.MEColomina, Jimenez, et al., 1988Based on data from 337. - 360. K.; AC

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 = 2,3,4,5-Tetramethylbenzoic acid

By formula: C11H13O2- + H+ = C11H14O2

Quantity Value Units Method Reference Comment
Deltar1394. ± 8.8kJ/molIMREDecouzon, Gal, et al., 1997gas phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-8069
NIST MS number 241788

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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., 1988
Colomina, M.; Jimenez, P.; Perez-Ossorio, R.; Roux, M.V.; Turrion, C., Thermochemical properties of benzoic acid derivatives. XVI. Vapour pressures and enthalpies of sublimation and formation of the three tetramethylbenzoic acids and of pentamenthylbenzoic acid, J. Chem. Thermodyn., 1988, 20, 575-580. [all data]

Colomina, Perez-Ossorio, et al., 1964
Colomina, M.; Perez-Ossorio, R.; Turrion, C.; Boned, M.L.; Pedraja, B., Investigaciones termoquimicas sobre los acidos alquilbenzoicos, Anal. Fisc. Quim. B, 1964, 60, 627-638. [all data]

Decouzon, Gal, et al., 1997
Decouzon, M.; Gal, J.-F.; Maria, P.-C.; Bohm, S.; Jimenez, P.; Roux, M.V.; Exner, O., Steric Effects in Crowded Molecules in the Gas Phase: Polymethyl Substituted Benzoic Acids, New J. Chem., 1997, 21, 561. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References