trans-3,6-dimethylcyclohexene
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChI: InChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h3,5,7-8H,4,6H2,1-2H3
- IUPAC Standard InChIKey: ADPYSZNUBWNLDH-UHFFFAOYSA-N
- CAS Registry Number: 19550-40-4
- 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. - Stereoisomers:
- Other names: cis-3,6-dimethylcyclohexene; Cyclohexene, 3,6-dimethyl-, cis; Cyclohexene, 3,6-dimethyl-
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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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H11+ | 9.78 ± 0.05 | CH3 | EI | Blanchette, Holmes, et al., 1987 |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 80. | 790.8 | Albaigés and Guardino, 1980 | He; Column length: 64. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 80. | 779.3 | Albaigés and Guardino, 1980 | He; Column length: 64. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 795.5 | Albaigés and Guardino, 1980 | He; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 789.8 | Albaigés and Guardino, 1980 | He; Column length: 100. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG-20M | 80. | 924. | Rang, Orav, et al., 1988 |
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.
Blanchette, Holmes, et al., 1987
Blanchette, M.C.; Holmes, J.L.; Lossing, F.P.,
Characterizing the 2-norbornyl cation in the gas phase,
J. Am. Chem. Soc., 1987, 109, 1392. [all data]
Albaigés and Guardino, 1980
Albaigés, J.; Guardino, X.,
Gas chromatographic-mass spectrometric identification of alkylcyclohexanes and cyclohexenes,
Chromatographia, 1980, 13, 12, 755-762, https://doi.org/10.1007/BF02265555
. [all data]
Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G.,
Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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