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Ethene, chlorotrifluoro-

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-505.5 ± 4.7kJ/molCcrErastov and Kolesov, 1982see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981
Deltafgas-564.8 ± 5.8kJ/molCmKolesov, Zenkov, et al., 1963Reanalyzed by Cox and Pilcher, 1970, Original value = -544.8 ± 5.4 kJ/mol
Deltafgas-510. ± 13.kJ/molCcbWartenberg and Schiefer, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -502. kJ/mol
Deltafgas-527. ± 8.kJ/molCmKirkbride and Davidson, 1954Von Wartenberg method

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 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
Deltafliquid-522.7 ± 4.7kJ/molCcrErastov and Kolesov, 1982see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-816.0 ± 2.8kJ/molCcrErastov and Kolesov, 1982see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981; ALS
Quantity Value Units Method Reference Comment
liquid220.66J/mol*KN/AOliver, Grisard, et al., 1951DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
122.42244.80Oliver, Grisard, et al., 1951T = 16 to 245 K.; 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil244.8KN/AAldrich Chemical Company Inc., 1990BS
Tboil246.KN/APCR Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus118.3KN/AGolovanova and Kolesov, 1984Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple115.00KN/AOliver, Grisard, et al., 1951, 2Uncertainty assigned by TRC = 0.05 K; from melting curve in a calorimeter, To = 273.16 K; TRC
Quantity Value Units Method Reference Comment
Tc379.5 ± 0.8KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc260. ± 200.barAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
rhoc4.72mol/lN/AOliver, Grisard, et al., 1951, 2Uncertainty assigned by TRC = 0.26 mol/l; mean value for 5 samples; TRC
Quantity Value Units Method Reference Comment
Deltavap17.2kJ/molVErastov and Kolesov, 1982see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
21.8247.AStephenson and Malanowski, 1987Based on data from 206. - 262. K.; AC
20.2313.AStephenson and Malanowski, 1987Based on data from 298. - 379. K.; AC
21.7248.N/AMcCullough, Person, et al., 1951Based on data from 206. - 263. K.; AC
21.9235.N/AHeisig and Hurd, 1933Based on data from 195. - 250. K.; AC

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
206.33 - 262.284.02636850.498-33.246Oliver, Grisard, et al., 1951Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
5.282118.3Golovanova and Kolesov, 1984, 2DH
5.5526115.0Oliver, Grisard, et al., 1951DH
5.55115.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
44.6118.3Golovanova and Kolesov, 1984, 2DH
48.28115.0Oliver, Grisard, et al., 1951DH

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

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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: 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

4sodium + Ethene, chlorotrifluoro- = 2carbon + sodium chloride + 3sodium fluoride

By formula: 4Na + C2ClF3 = 2C + ClNa + 3FNa

Quantity Value Units Method Reference Comment
Deltar-1576.1 ± 5.4kJ/molCmKolesov, Zenkov, et al., 1963gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -1543. ± 5.4 kJ/mol

2Hydrogen + Ethene, chlorotrifluoro- = 1,1,2-Trifluoroethane + Hydrogen chloride

By formula: 2H2 + C2ClF3 = C2H3F3 + HCl

Quantity Value Units Method Reference Comment
Deltar-267.7 ± 2.1kJ/molChydLacher, Kianpour, et al., 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -271.6 kJ/mol; At 410 K

Hydrogen bromide + Ethene, chlorotrifluoro- = 1-Bromo-2-chloro-1,1,2-trifluoroethane

By formula: HBr + C2ClF3 = C2HBrClF3

Quantity Value Units Method Reference Comment
Deltar-109.09 ± 0.95kJ/molCmLacher, Lea, et al., 1950gas phase; Heat of hydrobromination at 367°K

Chlorine + Ethene, chlorotrifluoro- = Ethane, 1,1,2-trichloro-1,2,2-trifluoro-

By formula: Cl2 + C2ClF3 = C2Cl3F3

Quantity Value Units Method Reference Comment
Deltar-204.2 ± 2.0kJ/molCmLacher, McKinley, et al., 1949gas phase; Heat of Chlorination at 363 °K

Bromine + Ethene, chlorotrifluoro- = 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane

By formula: Br2 + C2ClF3 = C2Br2ClF3

Quantity Value Units Method Reference Comment
Deltar-132.3kJ/molCmLacher, Casali, et al., 1956gas phase; Heat of bromination

1,2-Dibromo-1-chloro-1,2,2-trifluoroethane = Bromine + Ethene, chlorotrifluoro-

By formula: C2Br2ClF3 = Br2 + C2ClF3

Quantity Value Units Method Reference Comment
Deltar132.25kJ/molCmLacher, Casali, et al., 1956gas phase

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)9.81 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.6 ± 0.1EISyrvatka, Gil'burd, et al., 1972LLK
9.76SScott and Russell, 1972LLK
9.82PECullen, Frost, et al., 1972LLK
9.84PELake and Thompson, 1970RDSH
10.26PEWittel and Bock, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CCl+16.9 ± 0.1CF3EISyrvatka, Gil'burd, et al., 1972LLK
CClF+14.9 ± 0.1CFEISyrvatka, Gil'burd, et al., 1972LLK
CFCl+15.0 ± 0.1CF2EISyrvatka, Bel'ferman, et al., 1971LLK
CF+16.7 ± 0.1CClF2EISyrvatka, Gil'burd, et al., 1972LLK
C2ClF2+15.9 ± 0.2FEISyrvatka, Gil'burd, et al., 1972LLK
C2F3+15.4 ± 0.1ClEISyrvatka, Gil'burd, et al., 1972LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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

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Mass spectrum
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Additional Data

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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 1996

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lacher and Park, 1950
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 10170
Instrument Beckman DU
Melting point - 158
Boiling point - 27.8

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPorapack Q294.Zenkevich and Rodin, 2004Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

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

Erastov and Kolesov, 1982
Erastov, P.A.; Kolesov, V.P., Enthalpy of formation of trifluorochloroethene, J. Chem. Thermodyn., 1982, 14, 103-106. [all data]

Erastov, Kolesov, et al., 1981
Erastov, P.A.; Kolesov, V.P.; Dityateva, L.N.; Golovanova, Yu.G., The enthalpy of formation of 1,1,2-trifluoro-1,2,2-trichloroethane, J. Chem. Thermodyn., 1981, 13, 663-669. [all data]

Papina, Erastov, et al., 1981
Papina, T.S.; Erastov, P.A.; Kolesov, V.P., The enthalpies of formation of 1,1,1-trifluoro-2-chloro-2-bromoethane and 1,1,2-trifluoro-2-chloro-1-bromoethane, J. Chem. Thermodyn., 1981, 13, 683-689. [all data]

Kolesov, Zenkov, et al., 1963
Kolesov, V.P.; Zenkov, I.D.; Skuratov, S.M., Standard enthalpy of formation of chlorotrifluoroethylene, Russ. J. Phys. Chem. (Engl. Transl.), 1963, 37, 115-116. [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]

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]

Oliver, Grisard, et al., 1951
Oliver, G.D.; Grisard, J.W.; Cunningham, C.W., Thermodynamic properties and P-V-T relations of chlorotrifluoroethylene, J. Am. Chem. Soc., 1951, 73, 5719-5722. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

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

Golovanova and Kolesov, 1984
Golovanova, Y.G.; Kolesov, V.P., Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk. Univ., Ser. 2: Khim., 1984, 25, 244. [all data]

Oliver, Grisard, et al., 1951, 2
Oliver, G.D.; Grisard, J.W.; Cunningham, C.W., Thermodynamic Properties and P-V-T Relations of Chlorotrifluoroethylene., J. Am. Chem. Soc., 1951, 73, 5719-22. [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]

McCullough, Person, et al., 1951
McCullough, J.P.; Person, W.B.; Spitzer, Ralph, The Heats of Vaporization and Vapor Heat Capacities of Some Dimethylcyclohexanes 1, J. Am. Chem. Soc., 1951, 73, 9, 4069-4071, https://doi.org/10.1021/ja01153a003 . [all data]

Heisig and Hurd, 1933
Heisig, G.B.; Hurd, Charles D., Vapor Pressure and Boiling Point of Pure Methylacetylene *, J. Am. Chem. Soc., 1933, 55, 8, 3485-3487, https://doi.org/10.1021/ja01335a083 . [all data]

Golovanova and Kolesov, 1984, 2
Golovanova, Yu.G.; Kolesov, V.P., Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk Univ., Ser. 2: Khim., 1984, 25(3), 244-248. [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]

Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D., Reaction calorimetry. The hydrogenation of organic fluorides and chlorides, Trans. Faraday Soc., 1956, 52, 1500-1508. [all data]

Lacher, Lea, et al., 1950
Lacher, J.R.; Lea, K.R.; Walden, C.H.; Olson, G.G.; Park, J.D., Reaction heats of organic fluorine compounds. III. The vapor phase heats of hydrobromination of some simple fluoroolefins, J. Am. Chem. Soc., 1950, 72, 3231-3234. [all data]

Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Walden, C.; Lea, K.; Park, J.D., Reaction heats of organic fluorine compounds. II. The vapor phase heats of chlorination of some simple fluoroolefins, J. Am. Chem. Soc., 1949, 71, 1334-1337. [all data]

Lacher, Casali, et al., 1956
Lacher, J.R.; Casali, L.; Park, J.D., Reaction heats of organic halogen compounds V. The vapor phase bromination of tetrafluoroethylene and trifluorochloroethylene, J. Phys. Chem., 1956, 60, 608-610. [all data]

Syrvatka, Gil'burd, et al., 1972
Syrvatka, B.G.; Gil'burd, M.M.; Bel'ferman, A.L., Mass spectrometric study of chlorofluoro-substituted ethylenes, J. Org. Chem. USSR, 1972, 8, 1587, In original 1553. [all data]

Scott and Russell, 1972
Scott, J.D.; Russell, B.R., Vacuum-ultraviolet spectral studies of several chlorofluoroethylenes, J. Am. Chem. Soc., 1972, 94, 2634. [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]

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

Wittel and Bock, 1974
Wittel, K.; Bock, H., Photoelektronenspekten und molekuleigenschaften. XXVII. Chlor- und bromathylene- beispiele fur anderungen in «pi»- und «sigma»-Systemen, Chem. Ber., 1974, 107, 317. [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]

Lacher and Park, 1950
Lacher, J.R.; Park, J.D., J. Am. Chem. Soc., 1950, 72, 5486. [all data]

Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References