Propene, hexafluoro-

• Formula: C₃F₆
• Molecular weight: 150.0225
• IUPAC Standard InChI: InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9 Copy

  
• IUPAC Standard InChIKey: HCDGVLDPFQMKDK-UHFFFAOYSA-N Copy
• CAS Registry Number: 116-15-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1-Propene, 1,1,2,3,3,3-hexafluoro-; Hexafluoropropene; Hexafluoropropylene; Perfluoro-1-propene; Perfluoropropene; Perfluoropropylene; 1,1,2,3,3,3-Hexafluoro-1-propene; CF3CF=CF2; Propylene, hexafluoro-; UN 1858; HFC 1216; Hexafluoro-1-propene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

Ion clustering 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = C₃BrF₆^-

By formula: Br^- + C₃F₆ = C₃BrF₆^-

C₃BrF₆^- + 2 = C₆BrF₁₂^-

By formula: C₃BrF₆^- + 2C₃F₆ = C₆BrF₁₂^-

C₃ClF₆^- + 2 = C₆ClF₁₂^-

By formula: C₃ClF₆^- + 2C₃F₆ = C₆ClF₁₂^-

C₃F₆I^- + 2 = C₆F₁₂I^-

By formula: C₃F₆I^- + 2C₃F₆ = C₆F₁₂I^-

C₆ClF₁₂^- + 3 = C₉ClF₁₈^-

By formula: C₆ClF₁₂^- + 3C₃F₆ = C₉ClF₁₈^-

 +  = C₃ClF₆^-

By formula: Cl^- + C₃F₆ = C₃ClF₆^-

 +  = C₃F₆I^-

By formula: I^- + C₃F₆ = C₃F₆I^-

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.

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

Lazerte, Hals, et al., 1953
Lazerte, J.D.; Hals, L.J.; Ried, T.S.; Smith, G.H., Pyrolyses of the Salts of the Perfluoro Carboxylic Acids, J. Am. Chem. Soc., 1953, 75, 4525. [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]

Whipple, 1952
Whipple, G.H., Vapor-Liquid Equilibria of Some Fluorinated Hydrocarbon Systems, Ind. Eng. Chem., 1952, 44, 7, 1664-1667, https://doi.org/10.1021/ie50511a050 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Berman, Bomse, et al., 1981
Berman, D.W.; Bomse, D.S.; Beauchamp, J.L., Photoionization threshold measurements for CF₂ loss from perfluoropropylene, Perfluorocyclopropane, and trifluoromethylbenzene. The heat of formation of CF₂ and the potential energy surface for C₃F₆ neutrals and ions, Int. J. Mass Spectrom. Ion Phys., 1981, 39, 263. [all data]

Freiser and Beauchamp, 1974
Freiser, B.S.; Beauchamp, J.L., Gas phase ion chemistry and photochemistry of ions generated from perfluoropropylene. Photodissociation of the perfluoroallyl cation, J. Am. Chem. Soc., 1974, 96, 6260. [all data]

Cullen, Frost, et al., 1972
Cullen, W.R.; Frost, D.C.; Leeder, W.R., The ultraviolet and photoelectron spectra of some unsaturated fluorocarbon derivatives, J. Fluorine Chem., 1972, 1, 227. [all data]

Lifshitz and Long, 1965
Lifshitz, C.; Long, F.A., Appearance potentials and mass spectra of C₃F₆, C₃F₅Cl, and c-C₃F₆, J. Phys. Chem., 1965, 69, 3741. [all data]

Chelobov, Dubov, et al., 1963
Chelobov, F.N.; Dubov, S.S.; Tikhomirov, M.I.; Dobrovitskii, M.I., Ionization and dissociation of hexafluoropropylene by electrons of different energies, Dokl. Akad. Nauk SSSR, 1963, 151, 631, In original 670. [all data]

Hiraoka, Takao, et al., 2002
Hiraoka, K.; Takao, K.; Lino, T.; Nakagawa, F.; Suyama, H.; Mizuno, T.; Yamabe, S., Gas-phase ion-molecule reactions in C3F6, J. Phys. Chem. A, 2002, 106, 4, 603-611, https://doi.org/10.1021/jp0116306 . [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  Tboil	Boiling point
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

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