Butyric acid, 4-(p-fluorophenyl)-, methyl ester
- Formula: C11H13FO2
- Molecular weight: 196.2181
- IUPAC Standard InChI: InChI=1S/C11H13FO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
- IUPAC Standard InChIKey: OZOJNBOWCVAQPW-UHFFFAOYSA-N
- CAS Registry Number: 20637-05-2
- 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: Methyl 4-(4-fluorophenyl)butanoate; 4-(4-Fluorophenyl)butanoic acid methyl ester
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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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.8 ± 0.2 | EI | Howe, Williams, et al., 1969 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H6O2+ | 11.3 ± 0.2 | ? | EI | Howe, Williams, et al., 1969 | |
| C7H6F+ | 13.4 ± 0.2 | ? | EI | Howe, Williams, et al., 1969 | |
| C8H7F+ | 10.7 ± 0.2 | ? | EI | Howe, Williams, et al., 1969 | |
| C10H9OF+ | 9.4 ± 0.2 | CH3OH | EI | Howe, Williams, et al., 1969 | |
| C10H10OF+ | 11.2 ± 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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