2-Cyclohepten-1-one
- Formula: C7H10O
- Molecular weight: 110.1537
- IUPAC Standard InChI: InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2
- IUPAC Standard InChIKey: WZCRDVTWUYLPTR-UHFFFAOYSA-N
- CAS Registry Number: 1121-66-0
- 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: Tropilene; 2-Cycloheptenone; cyclohept-2-en-1-one
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.25 | PE | Hentrich, Gunkel, et al., 1974 | Vertical value |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1020. | Warthen, Lee, et al., 1997 | 25. m/0.2 mm/0.11 μm, He, 5. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1024. | Warthen, Lee, et al., 1997 | 25. m/0.2 mm/0.11 μm, He, 5. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hentrich, Gunkel, et al., 1974
Hentrich, G.; Gunkel, E.; Klessinger, M.,
Photoelektronenspektren organischer verbindungen. 4. Photoelektronenspektren ungesattigter carbonylverbindungen,
J. Mol. Struct., 1974, 21, 231. [all data]
Warthen, Lee, et al., 1997
Warthen, J.D.; Lee, C.-J.; Jang, E.B.; Lance, D.R.; McInnis, D.O.,
Volatile, potential attractants from ripe coffee fruit for female Mediterranean fruit fly,
J. Chem. Ecol., 1997, 23, 7, 1891-1900, https://doi.org/10.1023/B:JOEC.0000006458.02342.61
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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