Acetic acid, 2-methylphenyl ester
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChI: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
- IUPAC Standard InChIKey: AMZORBZSQRUXNC-UHFFFAOYSA-N
- CAS Registry Number: 533-18-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acetic acid, o-tolyl ester; o-Acetoxytoluene; o-Cresol acetate; o-Cresyl acetate; o-Cresylic acetate; o-Methylphenyl acetate; o-Tolyl acetate; Acetyl-o-cresol; 2-Methylphenyl acetate; 2-Methylphenyl ester of acetic acid; 2-Acetoxytoluene; NSC 58961
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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.38 ± 0.02 | EI | Benezra and Bursey, 1972 | |
| 9.1 | PE | Meeks, Wahlborg, et al., 1981 | Vertical value |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7O+ | 13.16 ± 0.02 | CH3CO | EI | Benezra and Bursey, 1972 | |
| C7H8O+ | 9.44 ± 0.02 | CH2=C=O | EI | Benezra and Bursey, 1972 |
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.
Benezra and Bursey, 1972
Benezra, S.A.; Bursey, M.M.,
Hydrogen bonding in mass spectral activated complexes. A correction,
J. Chem. Soc. Perkin Trans. 2, 1972, 11, 1537. [all data]
Meeks, Wahlborg, et al., 1981
Meeks, J.; Wahlborg, A.; McGlynn, S.P.,
Photoelectron spectroscopy of carbonyls: Benzoic acid and its derivatives,
J. Electron Spectrosc. Relat. Phenom., 1981, 22, 43. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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