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:
  • Reaction thermochemistry data
  • Henry's Law data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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)

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.

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]

Notes

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• Symbols used in this document:
  

  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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