1,4-Octadiene, trans
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChI: InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,7-8H,1,4-6H2,2H3/b8-7+
- IUPAC Standard InChIKey: HYBLFDUGSBOMPI-BQYQJAHWSA-N
- CAS Registry Number: 53793-31-0
- 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. - Stereoisomers:
- Other names: 1,trans-4-octadiene; 1,4-Octadiene, E; (E)-1,4-Octadiene
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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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.96 | EI | Holmes and Lossing, 1986 | LBLHLM |
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 | Squalane | 70. | 769. | Soják, Král'ovicová, et al., 1984 | 195. m/0.25 mm/0.08 μm, H2 |
| Capillary | Squalane | 70. | 771.7 | Soják, Ostrovský, et al., 1980 | N2; Column length: 200. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 768.7 | Soják, Ostrovský, et al., 1980 | N2; Column length: 70. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 30. | 769. | Döring, Estel, et al., 1974 | Column length: 150. m; Column diameter: 0.25 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.
Holmes and Lossing, 1986
Holmes, J.L.; Lossing, F.P.,
Title unavailable,
Personal communication to S.G. Lias, 1986. [all data]
Soják, Král'ovicová, et al., 1984
Soják, L.; Král'ovicová, E.; Ostrovský, I.; Leclercq, P.A.,
Retention behaviour of conjegated and isolated n-alkadienes. Identification of n-nona- and n-decadiens by capillary gas chromatography using structure-retention correlations and mass spectrometry,
J. Chromatogr., 1984, 292, 1, 241-261, https://doi.org/10.1016/S0021-9673(01)96207-7
. [all data]
Soják, Ostrovský, et al., 1980
Soják, L.; Ostrovský, I.; Leclercq, P.A.; Rijks, J.A.,
Identification of n-hepta- and n-octadienes by high-resolution gas chromatography using structure-retention correlations and mass spectrometry,
J. Chromatogr., 1980, 191, 187-198, https://doi.org/10.1016/S0021-9673(00)86379-7
. [all data]
Döring, Estel, et al., 1974
Döring, C.-E.; Estel, D.; Geyer, R.; Wendt, W.-H.,
Kapillargaschromatographische Analyse geradkettiger C8-Diene,
Z. Chem., 1974, 14, 7, 292-293, https://doi.org/10.1002/zfch.19740140730
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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