Trichloroethylene
- Formula: C2HCl3
- Molecular weight: 131.388
- IUPAC Standard InChIKey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
- CAS Registry Number: 79-01-6
- 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: Ethene, trichloro-; Ethylene, trichloro-; Algylen; Anamenth; Chlorilen; Chlorylen; Chorylen; Densinfluat; Ethinyl trichloride; Ethylene trichloride; Fluate; Gemalgene; Germalgene; Narcogen; Narkogen; Narkosoid; Threthylen; Threthylene; Trethylene; Tri; Tri-Clene; Trichloran; Trichloren; Trichloroethene; Trielene; Trilen; Trilene; Trimar; Westrosol; 1,1,2-Trichloroethene; C2HCl3; Acetylene trichloride; 1-Chloro-2,2-dichloroethylene; 1,1-Dichloro-2-chloroethylene; 1,1,2-Trichloroethylene; Benzinol; Blacosolv; Blancosolv; Cecolene; Chlorylea; Circosolv; Crawhaspol; Dow-tri; Dukeron; Fleck-flip; Flock FLIP; Lanadin; Lethurin; NCI-C04546; Nialk; Perm-A-chlor; Perm-A-clor; Petzinol; Philex; RCRA Waste number U228; TCE; Triad; Trial; Triasol; Trichlooretheen; Trichloorethyleen, tri; Trichloraethen; Trichloraethylen, tri; Trichlorethene; Trichlorethylene; Trichlorethylene, tri; 1,2,2-Trichloroethylene; Tricloretene; Tricloroetilene; Trielin; Trielina; Trieline; Triklone; Triline; Triol; Tri-plus; Tri-plus M; UN 1710; Vestrol; Vitran; Distillex DS2; Ethene, 1,1,2-trichloro-; R 1120; Triklone N
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -4.2 ± 0.5 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | -4.57 ± 0.72 | kcal/mol | Ccr | Papina and Kolesov, 1985 | ALS |
ΔfH°gas | -1.4 | kcal/mol | Cm | Kirkbride, 1956 | ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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:
DRB - Donald R. Burgess, Jr.
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 | -12.5 ± 0.7 | kcal/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°liquid | -12.7 ± 0.72 | kcal/mol | Ccr | Papina and Kolesov, 1985 | ALS |
ΔfH°liquid | -9.7 | kcal/mol | Cm | Kirkbride, 1956 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -226.5 ± 0.69 | kcal/mol | Ccr | Papina and Kolesov, 1985 | ALS |
ΔcH°liquid | -228.6 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -230. ± 2. kcal/mol; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
28.70 | 298. | Kurbatov, 1948 | T = 12 to 80°C, mean Cp, three temperatures.; DH |
29.80 | 298. | Trew and Watkins, 1933 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
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 | 360.2 ± 0.3 | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 188.5 | K | N/A | Golovanova and Kolesov, 1984 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 188.35 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 571. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.274 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 8.26 ± 0.02 | kcal/mol | Review | Manion, 2002 | employed 1980MMS calorimetry data plus a correction for non-ideality; DRB |
ΔvapH° | 8.119 ± 0.031 | kcal/mol | E | Papina and Kolesov, 1985 | ALS |
ΔvapH° | 8.25 ± 0.02 | kcal/mol | C | Majer, Sváb, et al., 1980 | AC |
ΔvapH° | 8.30 ± 0.10 | kcal/mol | V | Mathews, 1926 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 7.52 ± 0.03 kcal/mol; ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.50 | 360.4 | N/A | Majer and Svoboda, 1985 | |
8.17 | 313. | N/A | Aucejo, Gonzalez-Alfaro, et al., 1995 | Based on data from 297. to 360. K.; AC |
8.27 | 295. | N/A | Stephenson and Malanowski, 1987 | Based on data from 280. to 428. K. See also Dykyj, 1970.; AC |
7.680 | 360.19 | V | McDonald, 1944 | ALS |
8.65 | 305. | N/A | McDonald, 1944 | Based on data from 290. to 359. K.; AC |
8.51 | 313. | N/A | Herz and Rathmann, 1912 | Based on data from 298. to 360. K. See also Boublik, Fried, et al., 1984.; 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 |
---|---|---|---|---|---|
290.9 to 359.62 | 3.54775 | 974.538 | -85.811 | McDonald, 1944 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.020 | 188.5 | Golovanova and Kolesov, 1984, 2 | DH |
2.02 | 188.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.7 | 188.5 | Golovanova and Kolesov, 1984, 2 | DH |
Reaction thermochemistry 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 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
By formula: C2H2Cl4 = HCl + C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
ΔrH° | 10.85 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1976 | liquid phase; At 333 K |
By formula: C2H2Cl4 = HCl + C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase |
ΔrH° | 10.7 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
By formula: H2CaO2 + 2C2H2Cl4 = CaCl2 + 2H2O + 2C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36. | kcal/mol | Cm | Kirkbride, 1956 | liquid phase |
By formula: Cl2 + C2HCl3 = C2HCl5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36.2 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
. [all data]
Papina and Kolesov, 1985
Papina, T.S.; Kolesov, V.P.,
Standard enthalpy of formation of trichloroethylene,
Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 1289-1291. [all data]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [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]
Kurbatov, 1948
Kurbatov, V.Ya.,
Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons,
Zh. Obshch. Kim., 1948, 18, 372-389. [all data]
Trew and Watkins, 1933
Trew, V.C.G.; Watkins, G.M.C.,
Some physical properties of mixtures of certain organic liquids,
Trans. Faraday Soc., 1933, 29, 1310-1318. [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]
Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M.,
Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds,
J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [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]
Majer, Sváb, et al., 1980
Majer, V.; Sváb, L.; Svoboda, V.,
Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons,
The Journal of Chemical Thermodynamics, 1980, 12, 9, 843-847, https://doi.org/10.1016/0021-9614(80)90028-2
. [all data]
Mathews, 1926
Mathews, J.H.,
The accurate measurement of heats of vaporization of liquids,
J. Am. Chem. Soc., 1926, 48, 562-576. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Aucejo, Gonzalez-Alfaro, et al., 1995
Aucejo, Antonio; Gonzalez-Alfaro, Vicenta; Monton, Juan B.; Vazquez, M. Isabel,
Isobaric Vapor-Liquid Equilibria of Trichloroethylene with 1-Propanol and 2-Propanol at 20 and 100 kPa,
J. Chem. Eng. Data, 1995, 40, 1, 332-335, https://doi.org/10.1021/je00017a073
. [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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
McDonald, 1944
McDonald, H.J.,
The vapor pressure and heat of vaporization of trichloroethylene,
J. Phys. Chem., 1944, 48, 47-50. [all data]
Herz and Rathmann, 1912
Herz, W.; Rathmann, W.,
Chem. Ztg., 1912, 36, 1417. [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]
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]
Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S.,
Thermodynamic stability of chloroethanes in dehydrochlorination reactions,
J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]
Levanova, Bushneva, et al., 1976
Levanova, S.V.; Bushneva, L.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.,
Liquid-phase dehydrochlorination of asymmetric tetrachloroethane,
Zh. Fiz. Khim., 1976, 50, 2701-2702. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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 ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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