Benzenebutanoic acid, 4-methoxy-, methyl ester
- Formula: C12H16O3
- Molecular weight: 208.2536
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: FEZIYDSIDIJXQH-UHFFFAOYSA-N
- CAS Registry Number: 20637-08-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butyric acid, 4-(p-methoxyphenyl)-, methyl ester; Methyl 4-(4-methoxyphenyl)butanoate; 4-(4-Methoxyphenyl)butanoic acid methyl ester
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- Information on this page:
- Other data available:
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
|7.8 ± 0.5||EI||Howe and Williams, 1968|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C8H9O+||11.1 ± 0.2||?||EI||Howe, Williams, et al., 1969|
|C9H10O+||10.6 ± 0.2||?||EI||Howe, Williams, et al., 1969|
|C11H13O2+||11.1 ± 0.5||CH3O||EI||Howe and Williams, 1968|
Go To: Top, Gas phase ion energetics data, Notes
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]
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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