Tetrafluoromethane

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Henry's Law 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δcliquid-1519.89kJ/molCcbPrice and Sapiano, 1979ALS
Δcliquid-2222.3kJ/molCcbKrech, Price, et al., 1973ALS
Quantity Value Units Method Reference Comment
liquid143.97J/mol*KN/ASmith and Pace, 1969DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
80.08145.Smith and Pace, 1969T = 12 to 145 K. See also 69SMI/PAC.; DH

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
Tboil145.1 ± 0.2KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus89.KN/AStreng, 1971Uncertainty assigned by TRC = 1.5 K; TRC
Tfus89.5KN/AThorp and Scott, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Tfus86.85KN/ARuff and Keim, 1930Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple89.4 ± 0.8KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc227.5KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.1 K; TRC
Tc227.5KN/AChari, 1960Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Pc37.45barN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.10 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.142l/molN/ATerry, Lynch, et al., 1969Uncertainty assigned by TRC = 800. l/mol; TRC
Quantity Value Units Method Reference Comment
ρc7.155mol/lN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.01 mol/l; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
11.814145.12N/ASmith and Pace, 1969P = 101.325 kPa.; DH
12.1212.AStephenson and Malanowski, 1987Based on data from 195. to 227. K.; AC
12.3148.AStephenson and Malanowski, 1987Based on data from 89. to 163. K.; AC
11.9182.AStephenson and Malanowski, 1987Based on data from 160. to 197. K.; AC
12.4131.N/ASmith and Pace, 1969Based on data from 116. to 146. K.; AC
12.8131.N/AMenzel and Mohry, 1933Based on data from 93. to 146. K. See also Stephenson and Malanowski, 1987.; AC

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
81.41145.12Smith and Pace, 1969P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
121.59 to 135.393.32027376.716-31.901Regnier, 1972Coefficents calculated by NIST from author's data.
89.71 to 101.460.63481103.578-61.461Smith and Pace, 1969Coefficents calculated by NIST from author's data.
92.51 to 145.874.1682556.616-11.43Menzel and Mohry, 1933Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
14.788.N/ASimon, Knobler, et al., 1967Based on data from 86. to 89. K.; AC
17.076.N/ABondi, 1963AC
14.083.AMenzel and Mohry, 1933Based on data from 80. to 86. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
0.7189.56Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
22.4376.27Domalski and Hearing, 1996CAL
7.9589.56
21.476.1
7.788.4
19.276.1
7.989.5

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.462376.09crystaline, IIcrystaline, IEnokida, Shinoda, et al., 1969DH
0.705489.529crystaline, IliquidEnokida, Shinoda, et al., 1969DH
1.709276.27crystaline, IIcrystaline, ISmith and Pace, 1969DH
0.712189.56crystaline, IliquidSmith and Pace, 1969DH
1.734376.09crystaline, IIcrystaline, IKostryukov, Samorukov, et al., 1958DH
0.6937188.44crystaline, IliquidKostryukov, Samorukov, et al., 1958DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
19.2076.09crystaline, IIcrystaline, IEnokida, Shinoda, et al., 1969DH
7.8789.529crystaline, IliquidEnokida, Shinoda, et al., 1969DH
22.4176.27crystaline, IIcrystaline, ISmith and Pace, 1969DH
7.9589.56crystaline, IliquidSmith and Pace, 1969DH
21.3876.09crystaline, IIcrystaline, IKostryukov, Samorukov, et al., 1958DH
7.7488.44crystaline, IliquidKostryukov, Samorukov, et al., 1958DH

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, 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
0.00019 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.000211800.LN/A 
0.00020 VN/A 
0.000201500.MN/A 

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:
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
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)≤14.7eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)529.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity503.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
16.2 ± 0.1EIKime, Driscoll, et al., 1987LBLHLM
15.3PENovak, Potts, et al., 1985LBLHLM
16.2PECarlson, Fahlman, et al., 1984LBLHLM
≤14.7EVALRosenstock, Draxl, et al., 1977LLK
16.5PELloyd and Roberts, 1975LLK
15.7PELloyd and Roberts, 1975LLK
16.2PEBieri, Asbrink, et al., 1981Vertical value; LLK
16.26PEUehara, Saito, et al., 1973Vertical value; LLK
16.25 ± 0.04PEJonas, Schweitzer, et al., 1973Vertical value; LLK
16.20EIHarshbarger, Robin, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+31.5 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF+22.6 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF2+20.3 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF3+14.24 ± 0.07FENDFischer and Armentrout, 1990LL
CF3+14.2 ± 0.1FDERTichy, Javahery, et al., 1987LBLHLM
CF3+14.7 ± 0.3FPIPowis, 1980LLK
CF3+14.9 ± 0.1FPIPECOSimm, Danby, et al., 1975LLK
CF3+≤14.84 ± 0.05FPIPECOBrehm, Frey, et al., 1974LLK
CF3+≤15.35FPIWalter, Lifshitz, et al., 1969RDSH
CF3+15.52 ± 0.02FPINoutary, 1968RDSH
CF3+15.56 ± 0.01FPICook and Ching, 1965RDSH
F+24.0 ± 1.0?EIBibby, Toubelis, et al., 1965RDSH

References

Go To: Top, 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.

Price and Sapiano, 1979
Price, S.J.W.; Sapiano, H.J., Determination of ΔH°f298(C6F10,g) and ΔH°f298(C6F12,g) from studies of the combustion of decafluorocyclohexene and dodecafluorocylohexene in oxygen and calculation of the resonance energy of hexafluorobenzene, Can. J. Chem., 1979, 58, 685-688. [all data]

Krech, Price, et al., 1973
Krech, M.J.; Price, S.J.W.; Yared, W.F., Determination of the heat of formation of octafluorotoluene and calculation of D[C6F5-F] - D[C6F5-CF3], Can. J. Chem., 1973, 51, 3662-3664. [all data]

Smith and Pace, 1969
Smith, J.H.; Pace, E.L., The thermodynamic properties of carbon tetrafluoride from 12°K to its boiling point. The significance of the parameter {nu}, J. Phys. Chem., 1969, 73, 4232-4236. [all data]

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [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 Keim, 1930
Ruff, O.; Keim, R., The reaction products of carbon with fluorine: I. Tetrafluoromethane., Z. Anorg. Allg. Chem., 1930, 192, 249. [all data]

Altunin, Geller, et al., 1987
Altunin, V.V.; Geller, V.Z.; Kremenvskaya, E.A.; Perel'shtein, I.I.; Petrov, E.K., Thermophysical Properties of Freons, Methane Ser. Part 2, Vol. 9, NSRDS-USSR, Selover, T. B., Ed., Hemisphere, New York, 1987. [all data]

Chari, 1960
Chari, N.C., Thermodynamic Properties of Carbon Tetrafluoride., Ph.D. Dissertation, Univ. Mich., Ann Arbour, MI, 1960. [all data]

Terry, Lynch, et al., 1969
Terry, M.J.; Lynch, J.T.; Bunclark, M.; Mansell, K.R.; Staveley, L.A.K., The Densities of Liquid Argon, Krypton, Xenon, Oxygen, Nitrogen, Carbon Monoxide, Methane and Carbon Tetrafluoride Along the Orthobaric Liquid Curve, J. Chem. Thermodyn., 1969, 1, 413. [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]

Menzel and Mohry, 1933
Menzel, Walter; Mohry, Friedrich, Die Dampfdrucke des CF4 und NF3 und der Tripelpunkt des CF4, Z. Anorg. Allg. Chem., 1933, 210, 3, 257-263, https://doi.org/10.1002/zaac.19332100305 . [all data]

Regnier, 1972
Regnier, J., Tension de Vapeur de L'Ethane Entre 80 et 135 K, J. Chim. Phys., 1972, 69, 942-944. [all data]

Simon, Knobler, et al., 1967
Simon, M.; Knobler, C.M.; Duncan, A.G., The vapour pressure of tetrafluoromethane from 86 to 146° K, Cryogenics, 1967, 7, 1-4, 138-140, https://doi.org/10.1016/S0011-2275(67)80053-5 . [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]

Enokida, Shinoda, et al., 1969
Enokida, H.; Shinoda, T.; Mashiko, Y., Thermodynamic properties of carbon tetrafluoride from 40°K to its melting point, Bull. Chem. Soc. Japan, 1969, 42, 3415-3421. [all data]

Kostryukov, Samorukov, et al., 1958
Kostryukov, V.N.; Samorukov, O.P.; Strelkov, P.G., Thermodynamic studies at low temperatures VII. Phase transitions in solid BF3, CF4 and SiF4, Zhur. Fiz. Khim., 1958, 32, 1354-1361. [all data]

Hunter and Lias, 1998
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]

Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A., The stability of the carbon tetrahalide ions, J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]

Novak, Potts, et al., 1985
Novak, I.; Potts, A.W.; Quinn, F.; Marr, G.V.; Dobson, B.; Hillier, I.H.; West, J.B., Photoelectron asymmetry measurements for CHF3 and CF4 in the photon energy range 19 to 80 eV, J. Phys. B:, 1985, 18, 1581. [all data]

Carlson, Fahlman, et al., 1984
Carlson, T.A.; Fahlman, A.; Svensson, W.A.; Krause, M.O.; Whitley, T.A.; Grimm, F.A.; Piancastelli, M.N.; Taylor, J.W., Angle-resolved photoelectron cross section of CF4, J. Chem. Phys., 1984, 81, 3828. [all data]

Rosenstock, Draxl, et al., 1977
Rosenstock, H.M.; Draxl, K.; Steiner, B.W.; Herron, J.T., Energetics of gaseous ions, J. Phys. Chem. Ref. Data, 1977, 6. [all data]

Lloyd and Roberts, 1975
Lloyd, D.R.; Roberts, P.J., Photoelectron spectra of halides. VII. Variable temperature He(I) and He(II) studies of CF4, SiF4, and GeF4, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 325. [all data]

Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F), J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]

Uehara, Saito, et al., 1973
Uehara, Y.; Saito, N.; Yonezawa, T., Ionization potentials of trifluoromethyl and methyl halides by photoelectron spectroscopy and calculations by extended Hucket and CNDO/2 methods, Chem. Lett., 1973, 495. [all data]

Jonas, Schweitzer, et al., 1973
Jonas, A.E.; Schweitzer, G.K.; Grimm, F.A.; Carlson, T.A., The photoelectron spectra of the tetrafluoro and tetramethyl compounds of the group IV elements, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 29. [all data]

Harshbarger, Robin, et al., 1973
Harshbarger, W.R.; Robin, M.B.; Lassettre, E.N., The electron impact spectra of the fluoromethanes, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 319. [all data]

Dibeler, Reese, et al., 1956
Dibeler, V.H.; Reese, R.M.; Mohler, F.L., Ionization and dissociation of the trifluoromethyl halides by electron impact, J. Res. NBS, 1956, 57, 113. [all data]

Fischer and Armentrout, 1990
Fischer, E.R.; Armentrout, P.B., The appearance energy of CF3+ from CF4: Ion/molecule reactions related to the thermochemistry of CF3+., Int. J. Mass Spectrom. Ion Processes, 1990, 101, 1. [all data]

Tichy, Javahery, et al., 1987
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]

Powis, 1980
Powis, I., The dissociation of state-selected CF3X+ molecular ions, Mol. Phys., 1980, 39, 311. [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]

Brehm, Frey, et al., 1974
Brehm, B.; Frey, R.; Kustler, A.; Eland, J.H.D., Kinetic energy release in ion fragmentation: N2O+, COS+ and CF4+ decays, Int. J. Mass Spectrom. Ion Processes, 1974, 79, 251. [all data]

Walter, Lifshitz, et al., 1969
Walter, T.A.; Lifshitz, C.; Chupka, W.A.; Berkowitz, J., Mass-spectrometric study of the photoionization of C2F4 and CF4, J. Chem. Phys., 1969, 51, 3531. [all data]

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

Cook and Ching, 1965
Cook, G.R.; Ching, B.K., Photoionization and absorption cross sections and fluorescence of CF4, J. Chem. Phys., 1965, 43, 1794. [all data]

Bibby, Toubelis, et al., 1965
Bibby, M.M.; Toubelis, B.J.; Carter, G., Ionization and dissociation in CF4, Electron. Letters, 1965, 1, 50. [all data]


Notes

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