Pentamethylbenzoic acid

• Formula: C₁₂H₁₆O₂
• Molecular weight: 192.2542
• IUPAC Standard InChI: InChI=1S/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14) Copy

  
• IUPAC Standard InChIKey: MNLKGWIYXCKWBU-UHFFFAOYSA-N Copy
• CAS Registry Number: 2243-32-5
• 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, pentamethyl-
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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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

C₁₂H₁₅O₂^- +  =

By formula: C₁₂H₁₅O₂^- + H⁺ = C₁₂H₁₆O₂

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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 ion energetics data, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions

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