Butane, 1,2-dibromo-

• Formula: C₄H₈Br₂
• Molecular weight: 215.914
• IUPAC Standard InChI: InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: CZWSZZHGSNZRMW-UHFFFAOYSA-N Copy
• CAS Registry Number: 533-98-2
• 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: α-Butylene dibromide; 1,2-Dibromobutane; α-Butylene bromide
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • IR Spectrum
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas 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

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Reduced pressure boiling point

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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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

Kovats' RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Rozhnov and Nesterova, 1973
Rozhnov, A.M.; Nesterova, T.N., Heats of formation of dibromo-n-butanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1390, In original 2455. [all data]

Bjellerup, 1961
Bjellerup, L., On the accuracy of heat of combustion data obtained with a precision moving-bomb calorimetric method for organic bromine compounds, Acta Chem. Scand., 1961, 15, 121-140. [all data]

Coffin and Maass, 1928
Coffin, C.C.; Maass, O., The Preparation and Physical Properties of α-,β- and γ-Butylene and Normal and Isobutane, J. Am. Chem. Soc., 1928, 50, 1427-37. [all data]

Timmermans, 1927
Timmermans, J., The Melting Point of Organic Substances, Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]

Cahours, 1850
Cahours, A., Researches on Pelargonic Acid, J. Chem. Soc., 1850, 3, 240. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Pisarev, Rozhnov, et al., 1975
Pisarev, V.V.; Rozhnov, A.M.; Varushchenko, R.M.; Sarkisov, A.G., Russ. J. Phys. Chem., 1975, 49, 1450. [all data]

Pisarev, Rozhnov, et al., 1975, 2
Pisarev, V.V.; Rozhnov, A.M.; Varushchenko, R.M.; Sarkisov, A.G., Russ. J. Phys. Chem., 1975, 49, 1605. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Lister, 1941
Lister, M.W., Heats of organic reactions. X. Heats of bromination of cyclic olefins, J. Am. Chem. Soc., 1941, 63, 143-149. [all data]

Lafosse and Thuaud-Chourrout, 1975
Lafosse, M.; Thuaud-Chourrout, N., Etude du comportement de composés halogénés et mèthoxylés en CG dans le cas de quatre phases stationnaires liquides pouvant former des liaisons de type donneur-accepteur d'électrons avec les groupes fonctionnels de ces composés, Chromatographia, 1975, 8, 4, 195-202, https://doi.org/10.1007/BF02274456 . [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]

Liu and Yang, 2003
Liu, Y.; Yang, H., Detailed alkene determination by bromination and gas chromatography with atomic emission detection. I. identification of the bromoalkenes/bromoalkanes in brominated gasoline, Se Pu - Chinese Journal of Chromatography, 2003, 21, 1, 1-8. [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

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔfH°gas	Enthalpy of formation of gas 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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