Benzene, bromopentafluoro-

• Formula: C₆BrF₅
• Molecular weight: 246.960
• IUPAC Standard InChI: InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9 Copy

  
• IUPAC Standard InChIKey: XEKTVXADUPBFOA-UHFFFAOYSA-N Copy
• CAS Registry Number: 344-04-7
• 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: Bromopentafluorobenzene; Bromoperfluorobenzene; Pentafluorobromobenzene; Pentafluorophenyl bromide; 1-Bromo-2,3,4,5,6-pentafluorobenzene
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• Information on this page:
  • Gas phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

References

Go To: Top, Gas phase thermochemistry data, Notes

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

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Krech, Price, et al., 1977
Krech, M.J.; Price, S.J.W.; Sapiano, H.J., Determination of ΔH₁₂₉₈⁰(C₆F₅Br,g)from studies of the combustion of bromopentafluorobenzene in oxygen and calculation of D[C₆F₅-Br], Can. J. Chem., 1977, 55, 4222-4226. [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]

Notes

Go To: Top, Gas phase thermochemistry data, References

• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

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