2-Chloro-1-butene
- Formula: C4H7Cl
- Molecular weight: 90.551
- IUPAC Standard InChI: InChI=1S/C4H7Cl/c1-3-4(2)5/h2-3H2,1H3
- IUPAC Standard InChIKey: HSEFPJMMKNHABB-UHFFFAOYSA-N
- CAS Registry Number: 2211-70-3
- 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. - Other names: 2-chlorobut-1-ene; 1-Butene, 2-chloro-
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Gas phase thermochemistry data
Go To: Top, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -29.3 | kJ/mol | Eqk | Levanova, Rodova, et al., 1974 |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 331.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 331.65 | K | N/A | Kinney, 1942 | Uncertainty assigned by TRC = 1. K; uncertain whether this was measured; TRC |
| Tboil | 331.65 | K | N/A | Navez, 1930 | Uncertainty assigned by TRC = 1. K; TRC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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
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: C4H7Cl = C4H7Cl + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 64.0 ± 0.3 | kJ/mol | Eqk | Levanova, Rozhnov, et al., 1972 | gas phase; At 404.5 K |
=
By formula: C4H7Cl = C4H7Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -14. | kJ/mol | Eqk | Levanova, Rodova, et al., 1975 | gas phase |
=
By formula: C4H7Cl = C4H7Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.1 | kJ/mol | Eqk | Levanova, Rodova, et al., 1975 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Levanova, Rodova, et al., 1974
Levanova, S.V.; Rodova, R.M.; Rozhnov, A.M.; Shevtsova, L.A.,
Thermodynamic calculation of the equilibrium composition of chlorobutene mixtures,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1113-1114. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Kinney, 1942
Kinney, C.R.,
A System Correlating Molecular Structure of Organic Compounds with Their Boiling Points VI. The Monohalogen Derivatives of the Various Hydrocarbons,
J. Org. Chem., 1942, 7, 111. [all data]
Navez, 1930
Navez, L.,
Bull. Soc. Chim. Belg., 1930, 39, 435. [all data]
Levanova, Rozhnov, et al., 1972
Levanova, S.V.; Rozhnov, A.M.; Bortnik, O.K.,
Isomerization of dibromoethylenes,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1972, 15, 1821-1823. [all data]
Levanova, Rodova, et al., 1975
Levanova, S.V.; Rodova, R.M.; Shevtsova, L.A.; Rozhnov, A.M.,
Isomerisation of chlorobutenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 41-43. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tboil Boiling point 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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