Benzene, 2-butenyl-, trans
- Formula: C10H12
- Molecular weight: 132.2023
- IUPAC Standard InChI: InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3/b3-2+
- IUPAC Standard InChIKey: VUKHQPGJNTXTPY-NSCUHMNNSA-N
- CAS Registry Number: 935-00-2
- 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: (E)-1-Phenyl-2-butene
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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C10H12+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.48 | EI | Dass and Gross, 1985 | LBLHLM |
| 8.48 | PE | Fu and Dunbar, 1978 | LLK |
| 8.85 | PE | Fu and Dunbar, 1978 | Vertical value; LLK |
Gas Chromatography
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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: 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 | OV-101 | 100. | 1059. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
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.
Dass and Gross, 1985
Dass, C.; Gross, M.L.,
The question of cyclic versus acyclic ions: The structure of [C6H10]+ gas phase ions,
Org. Mass Spectrom., 1985, 20, 34. [all data]
Fu and Dunbar, 1978
Fu, E.W.; Dunbar, R.C.,
Photodissociation spectroscopy and structural rearrangements in ions of cyclooctatetraene, styrene and related molecules,
J. Am. Chem. Soc., 1978, 100, 2283. [all data]
Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr.,
Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes,
Chromatographia, 1987, 23, 8, 561-565, https://doi.org/10.1007/BF02324864
. [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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