Ethane, hexafluoro-

• Formula: C₂F₆
• Molecular weight: 138.0118
• IUPAC Standard InChI: InChI=1S/C2F6/c3-1(4,5)2(6,7)8 Copy

  
• IUPAC Standard InChIKey: WMIYKQLTONQJES-UHFFFAOYSA-N Copy
• CAS Registry Number: 76-16-4
• 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: Perfluoroethane; F-116; Freon 116; Hexafluoroethane; C2F6; Fluorocarbon 116; UN 2193; Freon 1166SY; 1,1,1,2,2,2-Hexafluoroethane; R 116; Ethane, 1,1,1,2,2,2-hexafluoro-; HFC 116
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • Fluid Properties
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    T_r = reduced temperature (T / T_c)

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Entropy of vaporization

Antoine Equation Parameters

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

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Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

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 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

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   D_3d     Symmetry Number σ = 6

Source: Shimanouchi, 1972

Notes

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.

Thorp and Scott, 1956
Thorp, N.; Scott, R.L., Fluorocarbon solutions at low termperatures. I. The liquid mixtures CF4-CHF3, CF4-CH4, CF4-Kr, CH4-Kr., J. Phys. Chem., 1956, 60, 670. [all data]

Ruff and Bretschneider, 1933
Ruff, O.; Bretschneider, O., The Preparation of Hexafluoroethane and Tetrafluoroethene from Tetrafluoromethane, Z. Anorg. Allg. Chem., 1933, 210, 173. [all data]

Swarts, 1933
Swarts, F., Hexafluoroethane., Bull. Soc. Chim. Belg., 1933, 42, 114. [all data]

Lobo and Staveley, 1979
Lobo, L.Q.; Staveley, L.A.K., The vapour pressure of tetrafluoromethane., Cryogenics, 1979, 19, 335. [all data]

Pace and Aston, 1948
Pace, E.L.; Aston, J.G., The thermodynamics of hexafluoroethane from calorimetric and spectroscopic data, J. Am. Chem. Soc., 1948, 70, 566. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Saikawa, Kijima, et al., 1979
Saikawa, K.; Kijima, J.; Uematsu, M.; Watanabe, K., Determination of the critical temperature and density of hexafluoroethane, J. Chem. Eng. Data, 1979, 24, 165-7. [all data]

Kijima, Saikawa, et al., 1977
Kijima, J.; Saikawa, K.; Watanabe, K.; Oguchi, K.; Tanishita, I., Experimental study of thermodyn. prop. of hexafluoroethane (R116) in Proc. Symp. Thermophys. Prop., 7th, Cezairliyan, A., Ed., ASME: New York, p 480, 1977. [all data]

Kim, 1974
Kim, K.Y., Calorimetric studies on argon and Hexafluoroethane and a generalized correlation of maxima in isobaric heat capacity., Ph.D. Dissertation, Univ. Mich., Ann Arbour, MI, 1974. [all data]

Pace and Aston, 1948, 2
Pace, E.L.; Aston, J.G., The thermodynamics of hexafluoroethane from calorimetric and spectroscopic data, J. Am. Chem. Soc., 1948, 70, 566-570. [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]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Inghram, Hanson, et al., 1980
Inghram, M.G.; Hanson, G.R.; Stockbauer, R., The fragmentation of C₂F₆, Int. J. Mass Spectrom. Ion Phys., 1980, 33, 253. [all data]

Sauvageau, Doucet, et al., 1974
Sauvageau, P.; Doucet, J.; Gilbert, R.; Sandorfy, C., Vacuum ultraviolet and photoelectron spectra of fluoroethanes, J. Chem. Phys., 1974, 61, 391. [all data]

Noutary, 1968
Noutary, C.J., Mass spectrometric study of some fluorocarbons and trifluoromethyl halides, J.Res. NBS, 1968, 72A, 479. [all data]

Smith and Kevan, 1967
Smith, D.; Kevan, L., Dissociative charge exchange of rare-gas ions with C₂F₆ and C₃F₈, J. Chem. Phys., 1967, 46, 1586. [all data]

Simm, Danby, et al., 1975
Simm, I.G.; Danby, C.J.; Eland, J.H.D.; Mansell, P.I., Translational energy release in the loss of fluorine atoms from the ions SF₆⁺, CF₄⁺ and C₂F₆⁺, J. Chem. Soc., 1975, 426. [all data]

Bibby and Carter, 1963
Bibby, M.M.; Carter, G., Ionization and dissociation in some fluorocarbon gases, J. Chem. Soc. Faraday Trans., 1963, 59, 2455. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Pc	Critical pressure
  Ptriple	Triple point pressure
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization
  ΔvapS	Entropy of vaporization
  ρc	Critical density

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