Acetic acid, 2-chlorophenyl ester
- Formula: C8H7ClO2
- Molecular weight: 170.593
- IUPAC Standard InChI: InChI=1S/C8H7ClO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
- IUPAC Standard InChIKey: CJPVPOYTTALCNX-UHFFFAOYSA-N
- CAS Registry Number: 4525-75-1
- 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: o-Acetoxychlorobenzene; o-Chlorophenyl acetate; Acetic acid, o-chlorophenyl ester; Phenol, o-chloro-, acetate; o-Chlorfenylester kyseliny octove; 2-Chlorophenyl acetate; o-Chlorfenylester kyseliny octove (czech)
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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 |
|---|---|---|
| 8.67 ± 0.03 | EI | Benezra and Bursey, 1971 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 12.55 ± 0.03 | ? | EI | Benezra and Bursey, 1971 | |
| C6H5OCl+ | 9.19 ± 0.03 | CH2=C=O | EI | Benezra and Bursey, 1971 |
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, 1971
Benezra, S.A.; Bursey, M.M.,
ortho-Effects on ordering factors in mass spectral rearrangements. Loss of keten from halogenated phenyl acetates and acetanilides,
J. Chem. Soc. B, 1971, 1515. [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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