3-(4-Chlorophenyl)butanoic acid methyl ester
- Formula: C11H13ClO2
- Molecular weight: 212.673
- IUPAC Standard InChI: InChI=1S/C11H13ClO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
- IUPAC Standard InChIKey: FFALEYDWSBKJHW-UHFFFAOYSA-N
- CAS Registry Number: 58304-70-4
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.4 ± 0.2 | EI | Howe, Williams, et al., 1969 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C8H8Cl+ | 11.1 ± 0.2 | ? | EI | Howe, Williams, et al., 1969 | |
| C9H9Cl+ | 9.9 ± 0.2 | ? | EI | Howe, Williams, et al., 1969 | |
| C10H10OCl+ | 11.1 ± 0.2 | CH3O | EI | Howe, Williams, et al., 1969 |
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.
Howe, Williams, et al., 1969
Howe, I.; Williams, D.H.; Kingston, D.G.I.; Tannenbaum, H.P.,
Substituent effects in the mass spectra of some - and -substituted methyl butyrates,
J. Chem. Soc. B, 1969, 439. [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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