Benzoic acid, 4-(acetyloxy)-


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

ΔfusH (kcal/mol) Temperature (K) Reference
6.298467.2YUAN, ZHANG, et al., 1997

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

Benzoic acid, 4-(acetyloxy)- + Water = Acetic acid + Benzoic acid, 4-hydroxy-

By formula: C9H8O4 + H2O = C2H4O2 + C7H6O3

Quantity Value Units Method Reference Comment
Δr-4.93 ± 0.08kcal/molCmNelander, 1964solid phase; Heat of hydrolysis

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

IE (eV) Method Reference
9.1 ± 0.2EIGamble, Gilbert, et al., 1971

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+12.5 ± 0.2C6H4(COOH)EIGamble, Gilbert, et al., 1971 
C7H6O3+10.1 ± 0.2CH2=C=OEIGamble, Gilbert, et al., 1971 

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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1655
NIST MS number 234026

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References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

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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