Ethene, tetrafluoro-

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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-658.56kJ/molReviewChase, 1998Data last reviewed in June, 1969
Δfgas-661. ± 3.kJ/molCmKolesov, Zenkov, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -636. ± 3. kJ/mol; ALS
Δfgas-661. ± 3.kJ/molChydNeugebauer and Margrave, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -635.5 ± 4.6 kJ/mol; ALS
Δfgas-686.kJ/molCcbWartenberg and Schiefer, 1955ALS
Δfgas-678. ± 4.kJ/molCmKirkbride and Davidson, 1954Von Wartenberg method; ALS
Quantity Value Units Method Reference Comment
gas,1 bar300.01J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1100.1100. to 6000.
A 43.55126129.9776
B 175.90791.690918
C -138.7331-0.340087
D 40.356190.023448
E -0.381260-10.83204
F -679.4983-725.3048
G 303.9350417.1829
H -658.5616-658.5616
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
liquid184.23J/mol*KN/AFurukawa, McCoskey, et al., 1953 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
112.77200.Furukawa, McCoskey, et al., 1953T = 6 to 210 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

Quantity Value Units Method Reference Comment
Tboil196.8KN/APCR Inc., 1990BS
Tboil199.KN/ALazerte, Hals, et al., 1953Uncertainty assigned by TRC = 3. K; TRC
Tboil196.7KN/ARuff and Bretschneider, 1933Uncertainty assigned by TRC = 0.5 K; not clear whether directly measured or extrapolated; TRC
Quantity Value Units Method Reference Comment
Tfus130.65KN/ARuff and Bretschneider, 1933Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple142.00KN/AFurukawa, McCoskey, et al., 1953Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc307.4KN/ALebedeva and Khodeeva, 1967TRC
Quantity Value Units Method Reference Comment
ρc5.842mol/lN/ALebedeva and Khodeeva, 1967Method as Lebedeva and Khodeeva Russ.J.Phys.Chem. 1961,35,1 sample stabilised with trimethylamine; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
16.821197.53N/AFurukawa, McCoskey, et al., 1953P = 101.325 kPa; DH
16.8258.AStephenson and Malanowski, 1987Based on data from 197. to 273. K.; AC
16.6288.AStephenson and Malanowski, 1987Based on data from 273. to 306. K.; AC
18.6193.AStephenson and Malanowski, 1987Based on data from 142. to 208. K. See also Furukawa, Mccoskey, et al., 1953 and Boublik, Fried, et al., 1984.; AC

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
85.16197.53Furukawa, McCoskey, et al., 1953P; 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
141.99 to 208.404.02877686.188-26.945Furukawa, McCoskey, et al., 1953Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.7145142.00Furukawa, McCoskey, et al., 1953DH
7.71142.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
54.33142.00Furukawa, McCoskey, et al., 1953DH

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

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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)

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
0.0016 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00162100.LN/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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2F4+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.14 ± 0.07eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.114 ± 0.010PIBuckley, Johnson, et al., 1995LL
10.14 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.14PESell, Mintz, et al., 1978LLK
10.32PECullen, Frost, et al., 1972LLK
10.10PEBrundle, Robin, et al., 1972LLK
10.11PELake and Thompson, 1970RDSH
10.12 ± 0.01PIWalter, Lifshitz, et al., 1969RDSH
10.12PIBralsford, Harris, et al., 1960RDSH
10.69 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.56 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK
10.52PERobin, Taylor, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+13.76 ± 0.01CF3PIWalter, Lifshitz, et al., 1969RDSH
CF2+15.2 ± 0.1CF2EISyrvatka, Bel'ferman, et al., 1971LLK
CF2+14.63 ± 0.04CF2PIWalter, Lifshitz, et al., 1969RDSH
CF2+15.0 ± 0.3CF2EIZmbov, Uy, et al., 1968RDSH
CF2+15.26 ± 0.05CF2EIPottie, 1965RDSH
CF3+13.70 ± 0.02CFPIWalter, Lifshitz, et al., 1969RDSH
C2F3+15.84 ± 0.02FPIWalter, Lifshitz, et al., 1969RDSH
F+29.5 ± 1.0?EITikhomirov and Komarov, 1966RDSH

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]

Kolesov, Zenkov, et al., 1962
Kolesov, V.P.; Zenkov, I.D.; Skuratov, S.M., The standard enthalpy of formation of tetrafluoroethylene, Russ. J. Phys. Chem. (Engl. Transl.), 1962, 36, 45-47. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Neugebauer and Margrave, 1956
Neugebauer, C.A.; Margrave, J.L., The heats of formation of tetrafluoroethylene, tetrafluoromethane and 1,1-difluoroethylene, J. Phys. Chem., 1956, 60, 1318-1321. [all data]

Wartenberg and Schiefer, 1955
Wartenberg, H.V.; Schiefer, J., Bildungswarmen von fluor-chlor-kohlenstoff-verbindungen, Z. Anorg. Chem., 1955, 278, 326-332. [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]

Furukawa, McCoskey, et al., 1953
Furukawa, G.T.; McCoskey, R.E.; Reilly, M.L., Heat capacity, heats of fusion and vaporization, and vapor pressure of tetrafluoroethylene, J. Res., 1953, NBS 51, 69-72. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Lazerte, Hals, et al., 1953
Lazerte, J.D.; Hals, L.J.; Ried, T.S.; Smith, G.H., Pyrolyses of the Salts of the Perfluoro Carboxylic Acids, J. Am. Chem. Soc., 1953, 75, 4525. [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]

Lebedeva and Khodeeva, 1967
Lebedeva, E.S.; Khodeeva, S.M., Liquid-Liquid-Gas Equilibrium in the System Tetrafluoroethylene-methanol, Zh. Fiz. Khim., 1967, 41, 2081-3. [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]

Furukawa, Mccoskey, et al., 1953
Furukawa, G.T.; Mccoskey, R.E.; Reilly, M.L., Heat capacity, heats of fusion and vaporization, and vapor pressure of tetrafluoroethylene, J. RES. NATL. BUR. STAN., 1953, 51, 2, 69, https://doi.org/10.6028/jres.051.007 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [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]

Buckley, Johnson, et al., 1995
Buckley, T.J.; Johnson, R.D.; Huie, R.E.; Zhang, Z.; Kuo, S.C.; Klemm, R.B., Ionization energies, appearance energies, and thermochemistry of CF2O and FCO, J. Phys. Chem., 1995, 99, 4879. [all data]

Bieri, Niessen, et al., 1981
Bieri, G.; Niessen, W.V.; Asbrink, L.; Svensson, A., The He(II) photoelectron spectra of the fluorosubstituted ethylenes and their analysis by the green's function method, Chem. Phys., 1981, 60, 61. [all data]

Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon π electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [all data]

Cullen, Frost, et al., 1972
Cullen, W.R.; Frost, D.C.; Leeder, W.R., The ultraviolet and photoelectron spectra of some unsaturated fluorocarbon derivatives, J. Fluorine Chem., 1972, 1, 227. [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H., Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules, J. Am. Chem. Soc., 1972, 94, 1451. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., Photoelectron spectra of halogenated ethylenes, Proc. Roy. Soc. (London), 1970, A315, 323. [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]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Sell and Kuppermann, 1979
Sell, J.A.; Kuppermann, A., Variable angle photoelectron spectroscopy of the fluoroethylenes, J. Chem. Phys., 1979, 71, 4703. [all data]

Robin, Taylor, et al., 1973
Robin, M.B.; Taylor, G.N.; Kuebler, N.A.; Bach, R.D., Planarity of the carbon skeleton in various alkylated olefins, J. Org. Chem., 1973, 38, 1049. [all data]

Syrvatka, Bel'ferman, et al., 1971
Syrvatka, B.G.; Bel'ferman, A.L.; Gil'burd, M.M.; Moin, F.B., Determination of the dissociation energy of the double bond in some fluorochloro-substituted ethylenes and their ions by electron bombardment, J. Org. Chem. USSR, 1971, 7, 8, In original 9. [all data]

Zmbov, Uy, et al., 1968
Zmbov, K.F.; Uy, M.; Margrave, J.L., Mass spectrometric study of the high-temperature equilibrium C2F4 = 2CF2 and the heat of formation of the CF2 radical, J. Am. Chem. Soc., 1968, 90, 5090. [all data]

Pottie, 1965
Pottie, R.F., Ionization potential and heat of formation of the difluoromethylene radical, J. Chem. Phys., 1965, 42, 2607. [all data]

Tikhomirov and Komarov, 1966
Tikhomirov, M.V.; Komarov, V.N., Effect of the surface on the mass spectrum of tetrafluoroethylene and the appearance potential of F+, Zh. Fiz. Khim., 1966, 40, 1392, In original 751. [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