3-Heptene, (E)-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
- IUPAC Standard InChIKey: WZHKDGJSXCTSCK-FNORWQNLSA-N
- CAS Registry Number: 14686-14-7
- 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)-3-Heptene; trans-3-Heptene; 3-C7H14; (E)-hept-3-ene
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Gas phase thermochemistry 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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -17.5 | kcal/mol | N/A | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° value of -108.4±0.63 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 35.2 kj/mol from alkenes correlation. |
| ΔfH°gas | -17.4 ± 0.2 | kcal/mol | Eqk | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 8.56 kcal/mol from Steele and Chirico, 1993. |
| ΔfH°gas | -17.7 | kcal/mol | N/A | Good, 1976 | Value computed using ΔfHliquid° value of -109.3±1 kj/mol from Good, 1976 and ΔvapH° value of 35.2 kj/mol from alkenes correlation. |
| ΔfH°gas | -17.6 ± 0.24 | kcal/mol | Ccb | Good, 1976 | Value computed using ΔfHliquid° from Good, 1976 and ΔvapH° value of 8.56 kcal/mol from Steele and Chirico, 1993. |
Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.41 ± 0.07 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone |
=
By formula: C7H14 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.60 ± 0.09 | kcal/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
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, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.92 | EI | Holmes, Fingas, et al., 1981 |
References
Go To: Top, Gas phase thermochemistry data, 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.
Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E.,
Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes,
J. Phys. Chem., 1984, 88, 3684-3688. [all data]
Steele and Chirico, 1993
Steele, W.V.; Chirico, R.D.,
Thermodynamic properties of alkenes (mono-olefins larger than C4),
J. Phys. Chem. Ref. Data, 1993, 22, 377-430. [all data]
Good, 1976
Good, W.D.,
The enthalpies of formation of five isomeric heptenes,
J. Chem. Thermodyn., 1976, 8, 67-71. [all data]
Rogers and Dejroongruang, 1988
Rogers, D.W.; Dejroongruang, K.,
Enthalpies of hydrogenation of the n-heptenes and the methylhexenes,
J. Chem. Thermodyn., 1988, 20, 675-680. [all data]
Kabo, Andreevskii, et al., 1967
Kabo, G.Ya.; Andreevskii, D.N.; Savinetskaya, G.A.,
Isomerization equilibrium of n-monochloroheptanes and n-heptenes,
Neftekhimiya, 1967, 7, 364-368. [all data]
Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P.,
Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations,
Can. J. Chem., 1981, 59, 80. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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