Benzene, pentafluoroiodo-

• Formula: C₆F₅I
• Molecular weight: 293.9607
• IUPAC Standard InChI: InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9 Copy

  
• IUPAC Standard InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N Copy
• CAS Registry Number: 827-15-6
• 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: Iodopentafluorobenzene; Pentafluoroiodobenzene; Pentafluorophenyl iodide; Iodoperfluorobenzene; 2,3,4,5,6-Pentafluoroiodobenzene; Perfluoroiodobenzene; 1,2,3,4,5-Pentafluoro-6-iodo-benzene
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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

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

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.

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., 1974
Krech, M.J.; Price, S.J.W.; Yared, W.F., Determination of ΔH_f298⁰(C₆F₅I,g) from studies of the combustion of iodopentafluorobenzene in oxygen and calculation of D(C₆F₅-X) bond dissociation energies, Can. J. Chem., 1974, 52, 2673-2678. [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, Condensed phase thermochemistry data, References

• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

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