Butane, 1,3-dichloro-
- Formula: C4H8Cl2
- Molecular weight: 127.012
- IUPAC Standard InChIKey: QBGVARBIQGHVKR-UHFFFAOYSA-N
- CAS Registry Number: 1190-22-3
- 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: 1,3-Dichlorobutane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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 | -46.60 ± 0.43 | kcal/mol | Ccb | An, He, et al., 1990 |
Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -56.71 ± 0.43 | kcal/mol | Ccb | An, He, et al., 1990 | |
ΔfH°liquid | -57.2 | kcal/mol | Eqk | Cherkasova, Rozhnov, et al., 1974 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -604.05 ± 0.42 | kcal/mol | Ccb | An, He, et al., 1990 |
Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 405. ± 8. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.1 ± 0.02 | kcal/mol | C | He, An, et al., 1992 | AC |
ΔvapH° | 10.1 | kcal/mol | N/A | Basarová and Svoboda, 1991 | Based on data from 320. to 400. K.; AC |
ΔvapH° | 10.11 ± 0.42 | kcal/mol | C | An, He, et al., 1990 | ALS |
ΔvapH° | 10.1 ± 0.43 | kcal/mol | C | Xu-Wu, Jun, et al., 1990 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.68 | 333. | A | Stephenson and Malanowski, 1987 | Based on data from 318. to 407. K.; AC |
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: C4H8Cl2 = HCl + C4H7Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.0 | kcal/mol | Eqk | Levanova, Rodova, et al., 1974 | gas phase |
By formula: C4H8Cl2 = C4H8Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.71 ± 0.30 | kcal/mol | Eqk | Cherkasova, Rozhnov, et al., 1974 | gas phase |
By formula: C4H8Cl2 = C4H8Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.36 ± 0.30 | kcal/mol | Eqk | Cherkasova, Rozhnov, et al., 1974 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Condensed 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.
An, He, et al., 1990
An, X.; He, J.; Hu, R.,
Study on the electrostatic interaction in organic chlorocompounds. Enthalpies of compustion and formation of 1,3- and 1,4-dichlorobutanes,
Thermochim. Acta, 1990, 169, 331-337. [all data]
Cherkasova, Rozhnov, et al., 1974
Cherkasova, R.I.; Rozhnov, A.M.; Nesterova, T.N.,
Equilibrium of isomerization of 1,2-, 1,3-, and 1,4-dichlorobutanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 143. [all data]
He, An, et al., 1992
He, J.; An, X.-W.; Hu, R.-H.,
Enthalpies of vaporization of five dichlorobutanes,
Acta Chim. Sin., 1992, 50, 10, 943. [all data]
Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav,
Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data,
Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I
. [all data]
Xu-Wu, Jun, et al., 1990
Xu-Wu, An; Jun, He; Ri-Heng, Hu,
Study on the electrostatic interaction in organic chlorocompounds. Enthalpies of combustion and formation of 1,3- and 1,4-dichlorobutanes,
Thermochimica Acta, 1990, 169, 331-337, https://doi.org/10.1016/0040-6031(90)80159-V
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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