Benzoic acid, 4-(acetyloxy)-

• Formula: C₉H₈O₄
• Molecular weight: 180.1574
• IUPAC Standard InChI: InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12) Copy

  
• IUPAC Standard InChIKey: GDBUZIKSJGRBJP-UHFFFAOYSA-N Copy
• CAS Registry Number: 2345-34-8
• Chemical structure:
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• Other names: 4-Acetoxybenzoic acid; O-Acetyl-p-hydroxybenzoic acid; p-Acetoxybenzoic acid; p-Acetyloxybenzoic acid; p-Carboxyphenyl acetate; p-Hydroxybenzoic acid acetate; Benzoic acid, p-hydroxy-, acetate; 4-Carboxyphenyl acetate; 4-Acetate-benzoic acid; NSC 11340
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

 +  =  + 

By formula: C₉H₈O₄ + H₂O = C₂H₄O₂ + C₇H₆O₃

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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

Appearance energy determinations

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

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

YUAN, ZHANG, et al., 1997
YUAN, JING; ZHANG, GUANG-LI; HUANG, DI-YUN, Mesomorphic behaviour of 4-benzoyloxybenzoic acid and its binary mixture with 4-acetoxybenzoic acid, Liquid Crystals, 1997, 22, 6, 693-696, https://doi.org/10.1080/026782997208794 . [all data]

Nelander, 1964
Nelander, L., The heats of hydrolysis of aspirin, thioaspirin, and their p-analogues, Acta Chem. Scand., 1964, 18, 973-984. [all data]

Gamble, Gilbert, et al., 1971
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G., Substituent effects on the mass spectra of substituted phenyl acetates, Org. Mass Spectrom., 1971, 5, 1093. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  ΔfusH	Enthalpy of fusion
  ΔrH°	Enthalpy of reaction at standard conditions

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