Sulfur hexafluoride

• Formula: F₆S
• Molecular weight: 146.055
• IUPAC Standard InChI: InChI=1S/F6S/c1-7(2,3,4,5)6 Copy

  
• IUPAC Standard InChIKey: SFZCNBIFKDRMGX-UHFFFAOYSA-N Copy
• CAS Registry Number: 2551-62-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Sulfur fluoride; OC-6-11; Elegas; SF6; Hexafluorure de soufre; UN 1080; Esaflon; sulphur hexafluoride
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Ion clustering data
  • Fluid Properties
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to SI units

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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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 sublimation

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 by: John E. Bartmess

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

( • ) +  = ( • 2)

By formula: (F^- • F₆S) + F₆S = (F^- • 2F₆S)

F₆S^- +  = (F₆S^- • )

By formula: F₆S^- + F₆S = (F₆S^- • F₆S)

 +  = ( • )

By formula: F^- + F₆S = (F^- • F₆S)

C₆H₄N₂O₄^- +  = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + F₆S = (C₆H₄N₂O₄^- • F₆S)

C₆H₄N₂O₄^- +  = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + F₆S = (C₆H₄N₂O₄^- • F₆S)

F₅S^- +  = (F₅S^- • )

By formula: F₅S^- + F₆S = (F₅S^- • F₆S)

 +  = ( • )

By formula: Cl^- + F₆S = (Cl^- • F₆S)

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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Electron affinity determinations

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Gas Chromatography, References, Notes

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

• gas

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

• gas; IFS66V (Bruker); 3-Term B-H Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Boxcar Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Happ Genzel Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); NB Strong Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Triangular Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Gas Chromatography

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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

Normal alkane RI, non-polar column, custom temperature program

View large format table.

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, Notes

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

Chase, 1998
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Klemm and Henkel, 1932
Klemm, Wilhelm; Henkel, Paul, «65533»ber einige physikalische Eigenschaften von SF6, SeF6, TeF6 und CF4, Z. Anorg. Allg. Chem., 1932, 207, 1, 73-86, https://doi.org/10.1002/zaac.19322070107 . [all data]

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Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Menk, Das, et al., 2014
Menk, S.; Das, S.; Blaum, K.; Froese, M.W.; Lange, M.; Mukherjee, M.; Repnow, R.; Schwalm, D.; von Hahn, R.; Wolf, A., Vibrational autodetachment of sulfur hexafluoride anions at its long-lifetime limit, Phys. Rev. A, 2014, 89, 2, 022502, https://doi.org/10.1103/PhysRevA.89.022502 . [all data]

Troe, Miller, et al., 2012
Troe, J.; Miller, T.M.; Viggiano, A.A., Communication: Revised electron affinity of SF6 from kinetic data, J. Chem. Phys., 2012, 136, 12, 121102, https://doi.org/10.1063/1.3698170 . [all data]

Chen, Wiley, et al., 1994
Chen, E.C.M.; Wiley, J.R.; Batten, C.F.; Wentworth, W.E., Determination of the Electron Affinities of Molecules Using Negative Ion Mass Spectrometry, J. Phys. Chem., 1994, 98, 1, 88, https://doi.org/10.1021/j100052a016 . [all data]

Chen, Shuie, et al., 1988
Chen, E.C.M.; Shuie, L.-R.; DSa, E.D.; Batten, C.F.; Wentworth, W.E., The Negative Ion States of SF₆, J. Chem. Phys., 1988, 88, 8, 4711, https://doi.org/10.1063/1.454710 . [all data]

Grimsrud, Chowdhury, et al., 1985
Grimsrud, E.P.; Chowdhury, S.; Kebarle, P., Electron affinity of SF₆ and perfluoromethylcyclohexane. The unusual kinetics of electron transfer reactions A- + B- + A, where A = SF₆ or perfluorinated cycloalkanes, J. Chem. Phys., 1985, 83, 1059. [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A^- + B = A + B^-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]

Bopp, Roscioli, et al., 2007
Bopp, J.C.; Roscioli, J.R.; Johnson, M.A.; Miller, T.M.; Viggiano, A.A.; Villano, S.M.; Wren, S.W.; Lineberger, Spectroscopic characterization of the isolated SF6- and C4F8- anions: Observation of very long harmonic progressions in symmetric deformation modes upon photodetachment, J. Phys. Chem. A, 2007, 111, 7, 1214-1221, https://doi.org/10.1021/jp0665372 . [all data]

Heneghan and Benson, 1983
Heneghan, S.P.; Benson, S.W., Kinetics and thermochemistry of electron attachment to SF₆, Int. J. Chem. Kinet., 1983, 15, 109. [all data]

Lifshitz, 1983
Lifshitz, C., Energy-entropy trade-offs in the unimolecular decompositions of SF₆^-, J. Phys. Chem., 1983, 87, 3474. [all data]

Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A., JANAF Thermochemical Tables 1982 Supplement, J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666 . [all data]

Drzaic and Brauman, 1982
Drzaic, P.S.; Brauman, J.I., Electron photodetachment of sulfur hexafluoride anion. Comments on the structure of SF₆^-, J. Am. Chem. Soc., 1982, 104, 13. [all data]

Refaey and Franklin, 1978
Refaey, K.M.A.; Franklin, J.L., Collisonal decomposition of SF₆-, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 125. [all data]

Chen and Chen, 2007
Chen, E.C.M.; Chen, E.S., Electron affinities and activation energies for reactions with thermal electrons: SF6 and SF5, Phys. Rev. A, 2007, 76, 3, 032508, https://doi.org/10.1103/PhysRevA.76.032508 . [all data]

Datskos, Carter, et al., 1995
Datskos, P.G.; Carter, J.G.; Christophorou, L.G., Photodetachment of SF6-, Chem. Phys. Lett., 1995, 239, 1-3, 38, https://doi.org/10.1016/0009-2614(95)00417-3 . [all data]

Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E., Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state, J. Phys. Chem., 1983, 87, 45. [all data]

Compton, Reinhardt, et al., 1978
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D., Collisional ionization between fast alkali atoms and selected hexafluoride molecules, J. Chem. Phys., 1978, 68, 2023. [all data]

Leffert, Tang, et al., 1974
Leffert, C.B.; Tang, S.Y.; Rothe, E.W.; Cheng, T.C., Collisional ionization of Cs with SF₆, J. Chem. Phys., 1974, 61, 4929. [all data]

Compton and Cooper, 1973
Compton, R.N.; Cooper, C.D., Molecular electron affinities from collisional ionization of cesium. II. SF₆ and TeF₆, J. Chem. Phys., 1973, 59, 4140. [all data]

Compton, Cooper, et al., 1973
Compton, R.N.; Cooper, R.D.; Divver, W.T.; Reinhardt, P.W., Molecular electron affinities from collisional ionization of cesium: SF₆, Bull. Am. Phys. Soc., 1973, 18, 810. [all data]

Lifshitz, Tiernan, et al., 1973
Lifshitz, C.; Tiernan, T.O.; Hughes, B.M., Electron affinities from endothermic negative-ion charge transfer reactions. IV. SF₆, selected fluorocarbons, and other polyatomic molecules, J. Chem. Phys., 1973, 59, 3182. [all data]

Fehsenfeld, 1971
Fehsenfeld, F.C., Ion Chemistry of SF₆, J. Chem. Phys., 1971, 54, 438. [all data]

Lifshitz, Hughes, et al., 1970
Lifshitz, C.; Hughes, B.M.; Tiernan, T.O., Electron Affinities for Endothermic Negative Ion Charge Transfer Reactions: NO₂ and SF₆, Chem. Phys. Lett., 1970, 7, 4, 469, https://doi.org/10.1016/0009-2614(70)80339-6 . [all data]

Chen, George, et al., 1968
Chen, E.C.M.; George, R.D.; Wentworth, W.E., Experimental Determination of Rate Constants for Thermal Electron Attachment to Gaseous SF₆ and C₇F₁₄, J. Chem. Phys., 1968, 49, 4, 1973, https://doi.org/10.1063/1.1670342 . [all data]

Compton, Christophorou, et al., 1966
Compton, R.N.; Christophorou, L.G.; Hurst, G.S.; Reinhardt, P.W., Nondissociative Electron Capture in Complex Molecules and Negative Ion Lifetimes, J. Chem. Phys., 1966, 45, 12, 4634, https://doi.org/10.1063/1.1727547 . [all data]

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Hubers, M.M.; Los, J., Ion pair formation in alkali-SF₆ collisions: Dependence on collisional and vibrational energy, Chem. Phys., 1975, 10, 235. [all data]

Kay and Page, 1964
Kay, J.; Page, F.M., Determination of Electron Affinities. Part 7.- Sulphur Hexafluoride and Disulphur Decafluoride, Trans. Farad. Soc., 1964, 60, 1042, https://doi.org/10.1039/tf9646001042 . [all data]

Pepi, Ricci, et al., 2005
Pepi, F.; Ricci, A.; Di Stefano, M.; Rosi, M., Gas phase protonation of trifluoromethyl sulfur pentafluoride, Phys. Chem. Chem. Phys., 2005, 7, 1181. [all data]

Delwiche, 1969
Delwiche, J., Ionization of sulphur hexafluoride by photon and electron impact, Bull. Classe Sci. Acad. Roy. Belg., 1969, 55, 215. [all data]

Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Sandhu, J.S.; Vroom, D.A., Photoelectron spectrum of sulfur hexafluoride at 584 A, J. Chem. Phys., 1967, 46, 2008. [all data]

Bieri, Asbrink, et al., 1982
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Sell, J.A.; Kupperman, A., Angular distributions in the photoelectron spectroscopy of SF₆, Chem. Phys., 1978, 33, 379. [all data]

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Pullen, B.P.; Stockdale, J.A.D., Dissociative ionization of SF₆ by electron impact, Int. J. Mass Spectrom. Ion Phys., 1976, 19, 35. [all data]

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Stone, J.A.; Wytenberg, W.J., A high pressure mass spectrometric study of the formation and chemistry of the pentafluorosulphur cation (SF₅⁺), Int. J. Mass Spectrom. Ion Processes, 1989, 94, 269. [all data]

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Tichy, M.; Javahery, G.; Twiddy, N.D.; Ferguson, E.E., The thermal energy reactions HCl⁺ + SF₆ Ü SF₅⁺ + HF + Cl and HCl⁺ + CF₄ Ü CF₃⁺ + HF + Cl, Int. J. Mass Spectrom. Ion Processes, 1987, 79, 231. [all data]

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Shul, R.J.; Upschulte, B.L.; Passarella, R.; Keesee, R.G.; Castleman, A.W., Thermal energy charge-transfer reactions of Ar⁺ and Ar₂⁺, J. Phys. Chem., 1987, 91, 2556. [all data]

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Babcock, L.M.; Streit, G.E., Ion-molecule reactions of SF₆: Determination of I. P. (SF₆), A. P.(SF₅⁺/SF₆), and D(SF₅-F), J. Chem. Phys., 1981, 74, 5700. [all data]

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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]

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Dibeler, V.H.; Walker, J.A., Photoionization efficiency curve for SF₆ in the wavelength region 1050 to 600, J. Chem. Phys., 1966, 44, 4405. [all data]

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Fox, R.E.; Curran, R.K., Ionization processes in CCl₄ and SF₆ by electron beams, J. Chem. Phys., 1961, 34, 1595. [all data]

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Dibeler, V.H.; Mohler, F.L., Dissociation of SF₆, CF₄, and SiF₄ by electron impact, J. Res. Natl. Bur. Stand. U.S., 1948, 40, 25. [all data]

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Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

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Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [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, IR Spectrum, Gas Chromatography, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tboil	Boiling point
  Tc	Critical temperature
  Ttriple	Triple point temperature
  Vc	Critical volume
  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
  ΔsubH	Enthalpy of sublimation
  ρc	Critical density

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