3-Hexene, (E)-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChI: InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
- IUPAC Standard InChIKey: ZQDPJFUHLCOCRG-AATRIKPKSA-N
- CAS Registry Number: 13269-52-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: (E)-3-Hexene; trans-3-Hexene; (E)-3-C6H12; trans-hex-3-ene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -11.8 ± 0.24 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | Value computed using ΔfHliquid° from Rogers, Crooks, et al., 1987 and ΔvapH° value of 7.53 kcal/mol from Steele and Chirico, 1993. |
| ΔfH°gas | -11.8 ± 0.26 | kcal/mol | Chyd | Rogers and Crooks, 1983 | Value computed using ΔfHliquid° from Rogers and Crooks, 1983 and ΔvapH° value of 7.53 kcal/mol from Steele and Chirico, 1993. |
| ΔfH°gas | -12.3 | kcal/mol | N/A | Wiberg and Wasserman, 1981 | Value computed using ΔfHliquid° value of -82.13±0.84 kj/mol from Wiberg and Wasserman, 1981 and ΔvapH° value of 30.7 kj/mol from alkenes correlation. |
| ΔfH°gas | -12.1 ± 0.2 | kcal/mol | Eqk | Wiberg and Wasserman, 1981 | Value computed using ΔfHliquid° from Wiberg and Wasserman, 1981 and ΔvapH° value of 7.53 kcal/mol from Steele and Chirico, 1993. |
| ΔfH°gas | -13.7 ± 0.43 | kcal/mol | Chyd | Rogers, Papadimetriou, et al., 1975 | Value computed using ΔfHliquid° from Rogers, Papadimetriou, et al., 1975 and ΔvapH° value of 7.53 kcal/mol from Steele and Chirico, 1993. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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°liquid | -19.3 ± 0.24 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | DRB |
| ΔfH°liquid | -19.3 ± 0.26 | kcal/mol | Chyd | Rogers and Crooks, 1983 | DRB |
| ΔfH°liquid | -19.63 ± 0.20 | kcal/mol | Eqk | Wiberg and Wasserman, 1981 | ALS |
| ΔfH°liquid | -21.2 ± 0.43 | kcal/mol | Chyd | Rogers, Papadimetriou, et al., 1975 | DRB |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed 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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 497 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K.,
Enthalpies of hydrogenation of the hexenes,
J. Chem. Thermodyn., 1987, 19, 1209-1215. [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]
Rogers and Crooks, 1983
Rogers, D.W.; Crooks, E.L.,
Enthalpies of hydrogenation of the isomers of n-hexene,
J. Chem. Thermodyn., 1983, 15, 1087-1092. [all data]
Wiberg and Wasserman, 1981
Wiberg, K.B.; Wasserman, D.J.,
Enthalpies of hydration of alkenes. 1. The n-hexenes,
J. Am. Chem. Soc., 1981, 103, 6563-6566. [all data]
Rogers, Papadimetriou, et al., 1975
Rogers, D.W.; Papadimetriou, P.M.; Siddiqui, N.A.,
An improved hydrogen microcalorimeter for use with large molecules,
Mikrochim. Acta, 1975, 2, 389-400. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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