1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-

• Formula: C₄F₆
• Molecular weight: 162.0332
• IUPAC Standard InChI: InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10 Copy

  
• IUPAC Standard InChIKey: LGPPATCNSOSOQH-UHFFFAOYSA-N Copy
• CAS Registry Number: 685-63-2
• 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: Hexafluoro-1,3-butadiene; Perfluoro-1,3-butadiene; 1,1,2,3,4,4-Hexafluoro-1,3-butadiene; CF2=CFCF=CF2; Perfluorobutadiene-1,3; Hexafluorobutadiene-1,3; 1,1,2,3,4,4-hexafluorobuta-1,3-diene
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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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

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
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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]

Andreevskii and Antonova, 1982
Andreevskii, D.N.; Antonova, Z.A., Development of an increment scheme for calculating the thermodynamic properties of organic polyfluoro compounds, J. Appl. Chem. USSR, 1982, 55, 582-587. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Bobbo, Fedele, et al., 2002
Bobbo, Sergio; Fedele, Laura; Scattolini, Mauro; Camporese, Roberto, Compressed Liquid Densities, Saturated Liquid Densities, and Vapor Pressures of Hexafluoro-1,3-butadiene (C ₄ F ₆ ), J. Chem. Eng. Data, 2002, 47, 2, 179-182, https://doi.org/10.1021/je010194d . [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
  ΔvapH	Enthalpy of vaporization

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