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Butane, 2,2-dichloro-

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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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil377.2KN/AWeast and Grasselli, 1989BS
Tboil374.KN/AAnonymous, 1966Uncertainty assigned by TRC = 4. K; TRC
Tboil376.15KN/ARust and Vaughan, 1941Uncertainty assigned by TRC = 0.5 K; TRC
Tboil376.KN/ATishchenko and Churbakov, 1937Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Deltavap36.3 ± 0.1kJ/molCHe, An, et al., 1992AC
Deltavap36.7kJ/molN/ABasarová and Svoboda, 1991Based on data from 300. - 370. K.; AC
Deltavap33.7 ± 0.6kJ/molEBPisarev, Rozhnov, et al., 1977AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
36.4308.AStephenson and Malanowski, 1987Based on data from 293. - 376. K.; AC

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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

Butane, 2,2-dichloro- = 2-Butene, 2-chloro-, (Z)- + Hydrogen chloride

By formula: C4H8Cl2 = C4H7Cl + HCl

Quantity Value Units Method Reference Comment
Deltar-8.79 ± 0.08kJ/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 568 K
Deltar55.2 ± 0.3kJ/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 404.5 K

Butane, 2,2-dichloro- = 2-Butene, 2-chloro-, (E)- + Hydrogen chloride

By formula: C4H8Cl2 = C4H7Cl + HCl

Quantity Value Units Method Reference Comment
Deltar-14. ± 0.08kJ/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 568 K
Deltar5.0 ± 0.3kJ/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 404.5 K

Butane, 2,3-dichloro- = Butane, 2,2-dichloro-

By formula: C4H8Cl2 = C4H8Cl2

Quantity Value Units Method Reference Comment
Deltar14.1 ± 0.3kJ/molEqkRodova, Levanova, et al., 1973gas phase; At 348 K

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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IR 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

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin W.T. BOLLETER
Source reference COBLENTZ NO. 4501
Date Not specified, most likely prior to 1970
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 0.0025 CM
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin GAZ DE FRANCE, DELORME, PARIS, FRANCE
NIST MS number 2573

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.738.Arruda, Junkes, et al., 2008 

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes724.Zenkevich, 2003Program: not specified
CapillaryMethyl Silicone724.Zenkevich and Marinichev, 2001Program: not specified
CapillaryPolydimethyl siloxanes724.Zenkevich, 1998Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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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