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)
- 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
View 3d structure (requires JavaScript / HTML 5) - 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Phase change data
Go To: Top, Gas phase ion energetics data, 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 (kJ/mol) | Temperature (K) | Reference |
|---|---|---|
| 26.35 | 467.2 | YUAN, ZHANG, et al., 1997 |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: 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 |
References
Go To: Top, Phase change data, 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.
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]
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, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.