Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Ethane, hexafluoro-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

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
Deltafgas-321.200kcal/molReviewChase, 1998Data last reviewed in June, 1969
Deltafgas-321.2 ± 1.2kcal/molEqkWalker, Sinke, et al., 1970ALS
Deltafgas-318.kcal/molEqkCoomber and Whittle, 1967ALS
Deltafgas-318. ± 2.kcal/molCcbSinke, 1966ALS
Deltafgas-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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 1400.1400. - 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

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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: 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

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
rhoc4.51mol/lN/ASaikawa, Kijima, et al., 1979Uncertainty assigned by TRC = 0.072 mol/l; TRC
rhoc4.20mol/lN/AKijima, Saikawa, et al., 1977Uncertainty assigned by TRC = 0.14 mol/l; TRC

Enthalpy of vaporization

DeltavapH (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. - 200. K.; AC
3.860195.N/AMajer and Svoboda, 1985 
4.09188.N/APace and Aston, 1948Based on data from 180. - 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)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

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

Entropy of vaporization

DeltavapS (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)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

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

Enthalpy of sublimation

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

Enthalpy of fusion

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

Entropy of fusion

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

Enthalpy of phase transition

DeltaHtrs (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

DeltaStrs (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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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: 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

3Ethane, hexafluoro- + 2Nitrogen trifluoride = 6Tetrafluoromethane + Nitrogen

By formula: 3C2F6 + 2F3N = 6CF4 + N2

Quantity Value Units Method Reference Comment
Deltar-311.7 ± 3.0kcal/molCcbSinke, 1966gas phase

Cyanogen + Ethane, hexafluoro- = 2Acetonitrile, trifluoro-

By formula: C2N2 + C2F6 = 2C2F3N

Quantity Value Units Method Reference Comment
Deltar10.54 ± 0.14kcal/molEqkWalker, Sinke, et al., 1970gas phase

Ethane, hexafluoro- + Bromine = 2Bromotrifluoromethane

By formula: C2F6 + Br2 = 2CBrF3

Quantity Value Units Method Reference Comment
Deltar3.66 ± 0.14kcal/molEqkCoomber and Whittle, 1967gas phase

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

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

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Vibrational and/or electronic energy levels, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 3610

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: Takehiko Shimanouchi

Symmetry:   D3d     Symmetry Number sigma = 6


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1g 1 CC str 1228  D  ia 1228 gas OC ( )Mean value of frequencies obtained from six combination bands.
a1g 2 CF3 s-str 807  C  ia 807 VS p gas
a1g 3 CF3 s-deform 348  C  ia 348 W p gas
a1u 4 Torsion 68  D  ia  ia CF
a2u 5 CF3 s-str 1117  B 1117 VS gas  ia
a2u 6 CF3 s-deform 714  B 714 VS gas  ia
eg 7 CF3 d-str 1250  C  ia 1250 VW dp gas
eg 8 CF3 d-deform 619  C  ia 619 W dp gas
eg 9 CF3 rock 372  C  ia 372 W dp gas
eu 10 CF3 d-str 1251  B 1251 VS gas  ia
eu 11 CF3 d-deform 520  C 520 S gas  ia
eu 12 CF3 rock 220  C 220 S gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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]

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


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References