4-Octene, (E)-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChI: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
- IUPAC Standard InChIKey: IRUCBBFNLDIMIK-BQYQJAHWSA-N
- CAS Registry Number: 14850-23-8
- 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)-4-Octene; n-trans-4-Octene; trans-n-4-Octene; trans-4-Octene; (E)-4-C8H16; (4E)-4-Octene; (E)-Oct-4-ene; trans-oct-4-ene
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Reaction thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
+
=
By formula: H2 + C8H16 = C8H18
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.49 ± 0.1 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
=
+
By formula: C8H18 = H2 + C8H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.261 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.836 ± 0.006 | PI | Rang, Martinson, et al., 1974 | LLK |
| 8.830 ± 0.005 | PE | Masclet, Grosjean, et al., 1973 | LLK |
| 9.01 ± 0.01 | PE | Krause, Taylor, et al., 1978 | Vertical value; LLK |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rogers, Dejroongruang, et al., 1992
Rogers, D.W.; Dejroongruang, K.; Samuel, S.D.; Fang, W.; Zhao, Y.,
Enthalpies of hydrogenation of the octenes and the methylheptenes,
J. Chem. Thermodyn., 1992, 24, 561-565. [all data]
Eliseev, 1986
Eliseev, N.A.,
Thermodynamic calculation of the equilibrium composition of isomeric octenes in dehydrogenation of n-octane,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1986, 29, 26-29. [all data]
Rang, Martinson, et al., 1974
Rang, S.; Martinson, E.; Muurisepp, M.,
Ionization potentials of unsaturated hydrocarbons. 1. n-Alkenes, Eesti NSV Teaduste Akadeemia Toimetised 23,
Eesti. NSV Tead. Akad. Toim., 1974, 352. [all data]
Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G.,
Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects,
J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]
Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F.,
An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes,
J. Am. Chem. Soc., 1978, 100, 718. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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