Ethene, chlorotrifluoro-
- Formula: C2ClF3
- Molecular weight: 116.470
- IUPAC Standard InChIKey: UUAGAQFQZIEFAH-UHFFFAOYSA-N
- CAS Registry Number: 79-38-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethylene, chlorotrifluoro-; Chlorotrifluoroethene; Chlorotrifluoroethylene; CTFE; Genetron 1113; Monochlorotrifluoroethylene; Trifluorochloroethylene; Trifluoromonochloroethylene; Trifluorovinyl Chloride; Trithene; C2F3Cl; 1-Chloro-1,2,2-trifluoroethylene; 2-Chloro-1,1,2-trifluoroethylene; Chlortrifluoraethylen; Daiflon; Ethylene, trifluorochloro-; Fluoroplast 3; Trifluorchlorethylen; 1,1,2-Trifluoro-2-chloroethylene; UN 1082; 1-Chloro-1,2,2-trifluoroethene; Ethene, 1-chloro-1,2,2-trifluoro-
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Gas phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -120.8 ± 1.1 | kcal/mol | Ccr | Erastov and Kolesov, 1982 | see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981 |
ΔfH°gas | -135.0 ± 1.4 | kcal/mol | Cm | Kolesov, Zenkov, et al., 1963 | Reanalyzed by Cox and Pilcher, 1970, Original value = -130.2 ± 1.3 kcal/mol |
ΔfH°gas | -121.9 ± 3.0 | kcal/mol | Ccb | Wartenberg and Schiefer, 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = -120. kcal/mol |
ΔfH°gas | -126. ± 2. | kcal/mol | Cm | Kirkbride and Davidson, 1954 | Von 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 |
---|---|---|---|---|---|
ΔfH°liquid | -124.9 ± 1.1 | kcal/mol | Ccr | Erastov and Kolesov, 1982 | see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -195.0 ± 0.67 | kcal/mol | Ccr | Erastov and Kolesov, 1982 | see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 52.739 | cal/mol*K | N/A | Oliver, Grisard, et al., 1951 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
29.259 | 244.80 | Oliver, Grisard, et al., 1951 | T = 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 |
---|---|---|---|---|---|
Tboil | 244.8 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 246. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 118.3 | K | N/A | Golovanova and Kolesov, 1984 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 115.00 | K | N/A | Oliver, Grisard, et al., 1951, 2 | Uncertainty assigned by TRC = 0.05 K; from melting curve in a calorimeter, To = 273.16 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 379.5 ± 0.8 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 260. ± 200. | atm | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.72 | mol/l | N/A | Oliver, Grisard, et al., 1951, 2 | Uncertainty assigned by TRC = 0.26 mol/l; mean value for 5 samples; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 4.11 | kcal/mol | V | Erastov and Kolesov, 1982 | see Erastov, Kolesov, et al., 1981 AND Papina, Erastov, et al., 1981; ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.21 | 247. | A | Stephenson and Malanowski, 1987 | Based on data from 206. to 262. K.; AC |
4.83 | 313. | A | Stephenson and Malanowski, 1987 | Based on data from 298. to 379. K.; AC |
5.19 | 248. | N/A | McCullough, Person, et al., 1951 | Based on data from 206. to 263. K.; AC |
5.23 | 235. | N/A | Heisig and Hurd, 1933 | Based on data from 195. to 250. K.; AC |
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 |
---|---|---|---|---|---|
206.33 to 262.28 | 4.02065 | 850.498 | -33.246 | Oliver, Grisard, et al., 1951 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.262 | 118.3 | Golovanova and Kolesov, 1984, 2 | DH |
1.3271 | 115.0 | Oliver, Grisard, et al., 1951 | DH |
1.33 | 115. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.7 | 118.3 | Golovanova and Kolesov, 1984, 2 | DH |
11.54 | 115.0 | Oliver, Grisard, et al., 1951 | DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes
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 ± 0.03 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.6 ± 0.1 | EI | Syrvatka, Gil'burd, et al., 1972 | LLK |
9.76 | S | Scott and Russell, 1972 | LLK |
9.82 | PE | Cullen, Frost, et al., 1972 | LLK |
9.84 | PE | Lake and Thompson, 1970 | RDSH |
10.26 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CCl+ | 16.9 ± 0.1 | CF3 | EI | Syrvatka, Gil'burd, et al., 1972 | LLK |
CClF+ | 14.9 ± 0.1 | CF | EI | Syrvatka, Gil'burd, et al., 1972 | LLK |
CFCl+ | 15.0 ± 0.1 | CF2 | EI | Syrvatka, Bel'ferman, et al., 1971 | LLK |
CF+ | 16.7 ± 0.1 | CClF2 | EI | Syrvatka, Gil'burd, et al., 1972 | LLK |
C2ClF2+ | 15.9 ± 0.2 | F | EI | Syrvatka, Gil'burd, et al., 1972 | LLK |
C2F3+ | 15.4 ± 0.1 | Cl | EI | Syrvatka, Gil'burd, et al., 1972 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
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]
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 π- und σ-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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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