Benzoic acid, p-tert-butyl-

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

  
• IUPAC Standard InChIKey: KDVYCTOWXSLNNI-UHFFFAOYSA-N Copy
• CAS Registry Number: 98-73-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Benzoic acid, 4-(1,1-dimethylethyl)-; p-tert-Butylbenzoic acid; 4-tert-Butylbenzoic acid; 4-t-Butylbenzoic acid; p-t-Butylbenzoic acid; TBBA; Kyselina p-terc.butylbenzoova; NSC 4802; 4-(1,1-Dimethylethyl)benzoic acid
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• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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^- +  =

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.

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

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