1-Heptene
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
- IUPAC Standard InChIKey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N
- CAS Registry Number: 592-76-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: n-Hept-1-ene; 1-n-Heptene; 1-C7H14; α-Heptylene; Heptylene; NSC 74130; heptene-1; hept-1-ene
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Gas phase 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -63.0 | kJ/mol | N/A | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° value of -97.7±0.6 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB |
| ΔfH°gas | -63.7 | kJ/mol | N/A | Good, 1976 | Value computed using ΔfHliquid° value of -98.4±0.9 kj/mol from Good, 1976 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB |
| ΔfH°gas | -62.30 | kJ/mol | Ccb | Rockenfeller and Rossini, 1961 | ALS |
Gas phase ion energetics data
Go To: Top, Gas phase 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.34 ± 0.08 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.38 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
| 9.3 ± 0.1 | EI | Haib and Stahl, 1990 | LL |
| 9.27 ± 0.02 | PE | Ashmore and Burgess, 1978 | LLK |
| 9.442 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
References
Go To: Top, Gas phase 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]
Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D.,
Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons,
J. Phys. Chem., 1961, 65, 267-272. [all data]
Good, 1976
Good, W.D.,
The enthalpies of formation of five isomeric heptenes,
J. Chem. Thermodyn., 1976, 8, 67-71. [all data]
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Haib and Stahl, 1990
Haib, J.; Stahl, D.,
The loss of water from ionized heptanols in the gas phase,
Org. Mass Spectrom., 1990, 25, 592. [all data]
Ashmore and Burgess, 1978
Ashmore, F.S.; Burgess, A.R.,
Photoelectron spectra of the unbranched C5-C7 alkenes, aldehydes and ketones,
J. Chem. Soc. Faraday Trans. 2, 1978, 74, 734. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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