Benzoic acid, 4-(acetyloxy)-
- Formula: C9H8O4
- Molecular weight: 180.1574
- IUPAC Standard InChIKey: GDBUZIKSJGRBJP-UHFFFAOYSA-N
- CAS Registry Number: 2345-34-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - 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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Phase change data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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 |
---|---|---|
6.298 | 467.2 | YUAN, 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
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
By formula: C9H8O4 + H2O = C2H4O2 + C7H6O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.93 ± 0.08 | kcal/mol | Cm | Nelander, 1964 | solid 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 ± 0.2 | EI | Gamble, Gilbert, et al., 1971 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H3O+ | 12.5 ± 0.2 | C6H4(COOH) | EI | Gamble, Gilbert, et al., 1971 | |
C7H6O3+ | 10.1 ± 0.2 | CH2=C=O | EI | Gamble, 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
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
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- 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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