Benzene, 3-cyclohexen-1-yl-
- Formula: C12H14
- Molecular weight: 158.2396
- IUPAC Standard InChI: InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
- IUPAC Standard InChIKey: XWCWNUSFQVJNDI-UHFFFAOYSA-N
- CAS Registry Number: 4994-16-5
- 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: 4-Phenylcyclohexene
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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 |
|---|---|---|
| 8.57 ± 0.01 | PE | Rang, Paldoia, et al., 1974 |
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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1345. | Landy, Nicklaus, et al., 2004 | 30. m/0.32 mm/1. μm, H2, 5. K/min, 240. C @ 10. min; Tstart: 40. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax Etr | 1800. | Landy, Nicklaus, et al., 2004 | 30. m/0.32 mm/1. μm, H2; Program: 35C => 10C/min => 110C => 5C/min => 180C => 10C/min => 220C(15min) |
| Capillary | DB-Wax Etr | 1802. | Landy, Nicklaus, et al., 2004 | 30. m/0.32 mm/1. μm, H2; Program: 35C => 10C/min => 110C => 5C/min => 180C => 10C/min => 220C(15min) |
| Capillary | DB-Wax Etr | 1800. | Landy, Nicklaus, et al., 2004 | 30. m/0.32 mm/1. μm, H2; Program: 35C => 10C/min => 110C => 5C/min => 180C => 10C/min => 220C(15min) |
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.
Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A.,
Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes,
Eesti. NSV Tead. Akad. Toim., 1974, 354. [all data]
Landy, Nicklaus, et al., 2004
Landy, P.; Nicklaus, S.; Sémon, E.; Mielle, P.; Guichard, E.,
Representativeness of extracts of offset paper packaging and analysis of the main odor-active compounds,
J. Agric. Food Chem., 2004, 52, 8, 2326-2334, https://doi.org/10.1021/jf0352677
. [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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