3-Tert-butylbenzoic acid

• Formula: C₁₁H₁₄O₂
• Molecular weight: 178.2277
• IUPAC Standard InChI: InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13) Copy

  
• IUPAC Standard InChIKey: PWEJHEZAHNQSHP-UHFFFAOYSA-N Copy
• CAS Registry Number: 7498-54-6
• Chemical structure:
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
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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

Enthalpy of sublimation

Gas phase ion energetics 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

De-protonation reactions

C₁₁H₁₃O₂^- +  =

By formula: C₁₁H₁₃O₂^- + H⁺ = C₁₁H₁₄O₂

References

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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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• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy 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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