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
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• 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
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• 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 by: 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
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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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 as indicated in comments:
B - John E. Bartmess
ALS - 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

 +  = C₃ClF₆^-

By formula: Cl^- + C₃F₆ = C₃ClF₆^-

 +  = C₃F₆I^-

By formula: I^- + C₃F₆ = C₃F₆I^-

 +  = C₃BrF₆^-

By formula: Br^- + C₃F₆ = C₃BrF₆^-

C₃ClF₆^- + 2 = C₆ClF₁₂^-

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

C₆ClF₁₂^- + 3 = C₉ClF₁₈^-

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

C₃BrF₆^- + 2 = C₆BrF₁₂^-

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

C₃F₆I^- + 2 = C₆F₁₂I^-

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

 +  =

By formula: C₃F₆ + Cl₂ = C₃Cl₂F₆

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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^-

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes

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

Papina, Kolesov, et al., 1987
Papina, T.S.; Kolesov, V.P.; Golovanova, Yu.G., Standard enthalpies of formation of 1,2-Dichlorohexafluoropropane and hexafluoropropane, Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 1168-1170. [all data]

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]

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]

Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Walden, C.; Lea, K.; Park, J.D., Reaction heats of organic fluorine compounds. II. The vapor phase heats of chlorination of some simple fluoroolefins, J. Am. Chem. Soc., 1949, 71, 1334-1337. [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]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  Tboil	Boiling point
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  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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