Benzoic acid, 2,4,5-trimethyl-

• Formula: C₁₀H₁₂O₂
• Molecular weight: 164.2011
• IUPAC Standard InChI: InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12) Copy

  
• IUPAC Standard InChIKey: QENJZWZWAWWESF-UHFFFAOYSA-N Copy
• CAS Registry Number: 528-90-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Durylic acid; 2,4,5-Trimethylbenzoic acid
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
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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

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

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

Enthalpy of sublimation

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

C₁₀H₁₁O₂^- +  =

By formula: C₁₀H₁₁O₂^- + H⁺ = C₁₀H₁₂O₂

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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., 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, 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

• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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