1-Butanone, 1-phenyl-
- Formula: C10H12O
- Molecular weight: 148.2017
- IUPAC Standard InChI: InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
- IUPAC Standard InChIKey: FFSAXUULYPJSKH-UHFFFAOYSA-N
- CAS Registry Number: 495-40-9
- 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: Butyrophenone; n-Butyrophenone; Phenyl propyl ketone; Propyl phenyl ketone; 1-Phenyl-1-butanone
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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C10H12O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.1 ± 0.1 | EI | Dallinga, Nibbering, et al., 1981 | LLK |
| 9.08 | PI | McLoughlin and Traeger, 1979 | LLK |
| 9.4 ± 0.2 | EI | McLafferty and Wachs, 1967 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5O+ | 9.59 | C3H7 | PI | McLoughlin and Traeger, 1979 | LLK |
| C8H10O+ | 9.5 ± 0.1 | C2H4 | EI | Dallinga, Nibbering, et al., 1981 | LLK |
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.
Dallinga, Nibbering, et al., 1981
Dallinga, J.W.; Nibbering, N.M.M.; Louter, G.J.,
Formation and structure of [C8H8O]+ ions, generated from gas phase ions of phenylcyclopropylcarbinol and 1-phenyl-1-(hydroxymethyl)cyclopropane,
Org. Mass Spectrom., 1981, 16, 4. [all data]
McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C.,
A photoionization study of some benzoyl compounds - thermochemistry of [C7H5O]+ formation,
Org. Mass Spectrom., 1979, 14, 434. [all data]
McLafferty and Wachs, 1967
McLafferty, F.W.; Wachs, T.,
Substituent effects in unimolecular ion decompositions. IX. Specific hydrogenrearrangement in butyrophenones,
J. Am. Chem. Soc., 1967, 89, 5043. [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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