Ethane, hexafluoro-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-321.200kcal/molReviewChase, 1998Data last reviewed in June, 1969
Δfgas-321.2 ± 1.2kcal/molEqkWalker, Sinke, et al., 1970ALS
Δfgas-318.kcal/molEqkCoomber and Whittle, 1967ALS
Δfgas-318. ± 2.kcal/molCcbSinke, 1966ALS
Δfgas-321.22 ± 0.96kcal/molCmKirkbride and Davidson, 1954Reanalyzed by Kolesov and Papina, 1983, Original value = -303. ± 2. kcal/mol; Von Wartenberg method; ALS
Quantity Value Units Method Reference Comment
gas,1 bar79.371cal/mol*KReviewChase, 1998Data last reviewed in June, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1400.1400. to 6000.
A 16.6700042.29259
B 53.862310.244591
C -41.62591-0.046148
D 11.268300.002604
E -0.347915-2.671979
F -329.3929-341.5901
G 83.28021118.6850
H -321.2000-321.2000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

Condensed 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid59.880cal/mol*KN/APace and Aston, 1948 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
31.38195.Pace and Aston, 1948T = 12 to 195 K.

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

Quantity Value Units Method Reference Comment
Tboil195. ± 2.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus173.1KN/AThorp and Scott, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Tfus172.65KN/ARuff and Bretschneider, 1933Uncertainty assigned by TRC = 0.5 K; TRC
Tfus166.85KN/ASwarts, 1933Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ttriple173.08KN/ALobo and Staveley, 1979Uncertainty assigned by TRC = 0.005 K; TRC
Ttriple173.10KN/APace and Aston, 1948, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.2591atmN/ALobo and Staveley, 1979Uncertainty assigned by TRC = 0.00004 atm; TRC
Ptriple0.2986atmN/ASwarts, 1933Uncertainty assigned by TRC = 0.0001 atm; TRC
Quantity Value Units Method Reference Comment
Tc292.8KN/AMajer and Svoboda, 1985 
Tc293.030KN/ASaikawa, Kijima, et al., 1979Uncertainty assigned by TRC = 0.01 K; TRC
Tc293.01KN/AKijima, Saikawa, et al., 1977Uncertainty assigned by TRC = 0.01 K; TRC
Tc292.66KN/AKim, 1974Uncertainty assigned by TRC = 0.05 K; TRC
Tc292.85KN/ASwarts, 1933Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Pc30.02atmN/ASaikawa, Kijima, et al., 1979Uncertainty assigned by TRC = 0.08 atm; derived from published vapor pressure data; TRC
Pc30.00atmN/AKijima, Saikawa, et al., 1977Uncertainty assigned by TRC = 0.011 atm; TRC
Pc29.7361atmN/AKim, 1974Uncertainty assigned by TRC = 0.0340 atm; TRC
Quantity Value Units Method Reference Comment
ρc4.51mol/lN/ASaikawa, Kijima, et al., 1979Uncertainty assigned by TRC = 0.072 mol/l; TRC
ρc4.20mol/lN/AKijima, Saikawa, et al., 1977Uncertainty assigned by TRC = 0.14 mol/l; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
3.8599194.87N/APace and Aston, 1948P = 101.325 kPA; DH
4.13186.AStephenson and Malanowski, 1987Based on data from 172. to 200. K.; AC
3.860195.N/AMajer and Svoboda, 1985 
4.09188.N/APace and Aston, 1948Based on data from 180. to 196. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
180. to 195.5.8100.232292.8Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
19.81194.87Pace and Aston, 1948P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
179.96 to 195.213.97442677.112-24.506Pace and Aston, 1948Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Reference Comment
6.21103.Bondi, 1963See also Pace and Aston, 1948.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.643173.1Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.58104.0Domalski and Hearing, 1996CAL
3.70173.1

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.8929103.98crystaline, IIcrystaline, IPace and Aston, 1948DH
0.6420173.10crystaline, IliquidPace and Aston, 1948DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
8.587103.98crystaline, IIcrystaline, IPace and Aston, 1948DH
3.709173.10crystaline, IliquidPace and Aston, 1948DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References, Notes

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)

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

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.000058 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

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

IE (eV) Method Reference Comment
13.6PEInghram, Hanson, et al., 1980LLK
14.4PEInghram, Hanson, et al., 1980Vertical value; LLK
14.6PESauvageau, Doucet, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+16.75?PINoutary, 1968RDSH
CF+16.1?EISmith and Kevan, 1967RDSH
CF3+13.62 ± 0.015CF3PINoutary, 1968RDSH
C2F4+20.7?EISmith and Kevan, 1967RDSH
C2F5+14.94 ± 0.05FPIPECOSimm, Danby, et al., 1975LLK
C2F5+15.46 ± 0.02FPINoutary, 1968RDSH
F+22.6?EIBibby and Carter, 1963RDSH

References

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

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Walker, Sinke, et al., 1970
Walker, L.C.; Sinke, G.C.; Perettie, D.J.; Janz, G.J., Enthalpy of formation of trifluoroacetonitrile, J. Am. Chem. Soc., 1970, 92, 4525-4526. [all data]

Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 2.-D(CF3-CF3) and enthalpy of formation of C2F6, Trans. Faraday Soc., 1967, 63, 1394-1401. [all data]

Sinke, 1966
Sinke, G.C., The heat of reaction of nitrogen trifluoride and hexafluoroethane, J. Phys. Chem., 1966, 70, 1326-1327. [all data]

Kirkbride and Davidson, 1954
Kirkbride, F.W.; Davidson, F.G., Heats of formation of gaseous fluoro- and fluorochloro-carbons, Nature (London), 1954, 174, 79-80. [all data]

Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S., Thermochemistry of Haloethanes, Russ. Chem. Rev., 1983, 52, 425. [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, 566-570. [all data]

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, 2
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]

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]


Notes

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