2-Thiophenebutanoic acid, methyl ester
- Formula: C9H12O2S
- Molecular weight: 184.255
- IUPAC Standard InChI: InChI=1S/C9H12O2S/c1-11-9(10)6-2-4-8-5-3-7-12-8/h3,5,7H,2,4,6H2,1H3
- IUPAC Standard InChIKey: FUTXOYOSYBCRBT-UHFFFAOYSA-N
- CAS Registry Number: 20828-66-4
- 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-(2-thienyl)butanoate; 4-(2-Thienyl)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 |
|---|---|---|
| 8.4 ± 0.3 | EI | Howe and Williams, 1968 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H5S+ | 13.3 ± 0.2 | ? | EI | Howe, Williams, et al., 1969 | |
| C6H6S+ | 10.7 ± 0.2 | ? | EI | Howe, Williams, et al., 1969 | |
| C8H9OS+ | 11.1 ± 0.3 | CH3O | EI | Howe and Williams, 1968 |
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 and Williams, 1968
Howe, I.; Williams, D.H.,
Studies in mass spectrometry. XXX. Substituent effects in mass spectrometry. Comparison of charge localization and quasi-equilibrium theories,
J. Am. Chem. Soc., 1968, 90, 5461. [all data]
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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