Butane, 1,3-dibromo-

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

  
• IUPAC Standard InChIKey: XZNGUVQDFJHPLU-UHFFFAOYSA-N Copy
• CAS Registry Number: 107-80-2
• 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: 1,3-Dibromobutane
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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

Condensed 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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: C₄H₈Br₂ = C₄H₈Br₂

=

By formula: C₄H₈Br₂ = C₄H₈Br₂

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-400 CM^-1); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

• gas

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

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]

Kazanskii and Lukina, 1952
Kazanskii, B.A.; Lukina, M.Y., 1,3-Dibromobutane, Sint. Org. Soedin., 1950-52, 1952, 2, 79. [all data]

Dem'yanov, 1892
Dem'yanov, N., Zh. Russ. Fiz.-Khim. O-va., 1892, 24, 346. [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]

Rozhnov, Nesterova, et al., 1972
Rozhnov, A.M.; Nesterova, T.N.; Kovaleva, T.V., Isomerization of dibromobutanes. I. Isomerization of 1,2-, 1,3-, and 1,4-dibromobutanes., Zh. Org. Khim., 1972, 8, 1560-1564. [all data]

Nesterova, Rozhnov, et al., 1973
Nesterova, T.N.; Rozhnov, A.M.; Kovaleva, T.V., Isomerisation equilibrium of 1,2-, 1,3-, and 2,3-dibromobutanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 755-756. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  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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