Methane, bromotrichloro-

• Formula: CBrCl₃
• Molecular weight: 198.274
• IUPAC Standard InChI: InChI=1S/CBrCl3/c2-1(3,4)5 Copy

  
• IUPAC Standard InChIKey: XNNQFQFUQLJSQT-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-62-7
• 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: Bromotrichloromethane; Carbon bromotrichloride; Monobromotrichloromethane; Trichlorobromomethane; CCl3Br; Carbon trichlorobromide; Trichloromethyl bromide
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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: CHCl₃ + Br₂ = HBr + CBrCl₃

 +  =  + 

By formula: CCl₄ + Br₂ = BrCl + CBrCl₃

 +  =  + 

By formula: HBr + CBrCl₃ = CHCl₃ + Br₂

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C_3ν     Symmetry Number σ = 3

Source: Shimanouchi, 1972

Notes

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.

Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride, J. Phys. Chem., 1973, 77, 2707-2709. [all data]

Benson, 1965
Benson, S.W., Thermochemistry of the bromination of chloroform and the heat of formation of the CCl₃ radical, J. Chem. Phys., 1965, 43, 2044-2046. [all data]

Sullivan and Davidson, 1951
Sullivan, J.H.; Davidson, N., The kinetics of the forward and reverse reactions for the vapor phase thermal bromination of chloroform, J. Chem. Phys., 1951, 19, 143-148. [all data]

Bengough and Thomson, 1959
Bengough, W.I.; Thomson, R.A.M., A dilatometric method of measuring the heats of radiation-induced reactions. Part 2.- The heat of photochemical addition of bromotrichloromethane to vinyl acetate, Trans. Faraday Soc., 1959, 55, 268-271. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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