Butane, 2,2-dichloro-

• Formula: C₄H₈Cl₂
• Molecular weight: 127.012
• IUPAC Standard InChI: InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: BSRTYNDWQXVCKR-UHFFFAOYSA-N Copy
• CAS Registry Number: 4279-22-5
• 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: 2,2-Dichlorobutane
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

Enthalpy of vaporization

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 = C₄H₇Cl + HCl

=  + 

By formula: C₄H₈Cl₂ = C₄H₇Cl + HCl

=

By formula: C₄H₈Cl₂ = C₄H₈Cl₂

IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Anonymous, 1966
Anonymous, P., , 1966. [all data]

Rust and Vaughan, 1941
Rust, F.F.; Vaughan, W.E., The high temperature chlorination of saturated aliphatic monochlorides. a " vicinal" effect., J. Org. Chem., 1941, 6, 479-88. [all data]

Tishchenko and Churbakov, 1937
Tishchenko, D.V.; Churbakov, A.N., Zh. Obshch. Khim., 1937, 7, 893. [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]

Pisarev, Rozhnov, et al., 1977
Pisarev, V.V.; Rozhnov, A.M.; Sarkisov, A.G., Russ. J. Phys. Chem., 1977, 51, 323. [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, 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]

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, 1998
Zenkevich, I.G., The Principle of Structural Analogy in the Calculation of Gas Chromatographic Retention Indices using Physico-Chemical Constants of Organic Compounds, Zh. Anal. Khim. (Rus.), 1998, 53, 1, 43-49. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  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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