3,5-Cycloheptadien-1-one
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChI: InChI=1S/C7H8O/c8-7-5-3-1-2-4-6-7/h1-4H,5-6H2
- IUPAC Standard InChIKey: UNELZWLTCBQRGC-UHFFFAOYSA-N
- CAS Registry Number: 1121-65-9
- Chemical structure:
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C7H8O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.24 | EI | Russell, Freiser, et al., 1983 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H7+ | 10.20 | ? | EI | Russell, Freiser, et al., 1983 | LBLHLM |
| C7H7O+ | 9.13 | H | EI | Russell, Freiser, et al., 1983 | LBLHLM |
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.
Russell, Freiser, et al., 1983
Russell, D.H.; Freiser, B.S.; McBay, E.H.; Canada, D.C.,
The structure of decomposing [C7H7O]+ ions: Benzyl versus tropylium ion structures,
Org. Mass Spectrom., 1983, 18, 474. [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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