Butane, 1,3-dichloro-
- Formula: C4H8Cl2
- Molecular weight: 127.012
- IUPAC Standard InChI: InChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3
- 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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Phase change data
Go To: Top, Gas Chromatography, 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
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° | 42.2 ± 0.1 | kJ/mol | C | He, An, et al., 1992 | AC |
| ΔvapH° | 42.3 | kJ/mol | N/A | Basarová and Svoboda, 1991 | Based on data from 320. to 400. K.; AC |
| ΔvapH° | 42.3 ± 1.8 | kJ/mol | C | An, He, et al., 1990 | ALS |
| ΔvapH° | 42.3 ± 1.8 | kJ/mol | C | Xu-Wu, Jun, et al., 1990 | AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 40.5 | 333. | A | Stephenson and Malanowski, 1987 | Based on data from 318. to 407. K.; AC |
Gas Chromatography
Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Apiezon L | 130. | 826. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 808. | Zenkevich, 2003 | Program: not specified |
| Capillary | Methyl Silicone | 808. | Zenkevich and Marinichev, 2001 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F.,
Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds,
J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121
. [all data]
Zenkevich, 2003
Zenkevich, I.G.,
Criteria for Evaluation of Elution Order of Isomeric Organic Compounds,
Zh. Phys. Khim. (Rus.), 2003, 77, 1, 92-98. [all data]
Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N.,
Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian),
Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point 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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