Butane, 2,3-dichloro-
- Formula: C4H8Cl2
- Molecular weight: 127.012
- IUPAC Standard InChI: InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
- IUPAC Standard InChIKey: RMISVOPUIFJTEO-UHFFFAOYSA-N
- CAS Registry Number: 7581-97-7
- 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. - Stereoisomers:
- Other names: 2,3-Dichlorobutane; D,l-2,3-dichlorobutane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Reaction thermochemistry 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 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 = C4H7Cl + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 69.0 | kJ/mol | Eqk | Levanova, Rodova, et al., 1974 | gas phase |
| ΔrH° | 66.53 ± 0.92 | kJ/mol | Eqk | Rodova, Levanova, et al., 1973 | gas phase; At 454 K |
=
+
By formula: C4H8Cl2 = C4H7Cl + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 61.50 ± 0.92 | kJ/mol | Eqk | Rodova, Levanova, et al., 1973 | gas phase; At 454 K |
=
+
By formula: C4H8Cl2 = C4H7Cl + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 65.3 ± 0.84 | kJ/mol | Eqk | Rodova, Levanova, et al., 1973 | gas phase; At 454 K |
=
By formula: C4H8Cl2 = C4H8Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.1 ± 0.3 | kJ/mol | Eqk | Rodova, Levanova, et al., 1973 | gas phase; At 348 K |
Gas Chromatography
Go To: Top, 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: 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. | 763. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 761. | Zenkevich, 2003 | Program: not specified |
| Capillary | Methyl Silicone | 761. | Zenkevich and Marinichev, 2001 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 761. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
References
Go To: Top, Reaction thermochemistry data, Gas Chromatography, 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]
Rodova, Levanova, et al., 1973
Rodova, R.M.; Levanova, S.V.; Shevtsova, L.A.; Rozhnov, A.M.; Porfir'eva, E.I.,
Reversible reactions of 2,3-dichlorobutane,
Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 607. [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]
Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R.,
Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions,
Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.