Trichloroethylene

Formula: C₂HCl₃
Molecular weight: 131.388
IUPAC Standard InChI: InChI=1S/C2HCl3/c3-1-2(4)5/h1H
IUPAC Standard InChIKey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
CAS Registry Number: 79-01-6
Chemical structure:
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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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Condensed phase thermochemistry data

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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
Δ_fH°_liquid	-12.5 ± 0.7	kcal/mol	Review	Manion, 2002	weighted average of several measurements; DRB
Δ_fH°_liquid	-12.7 ± 0.72	kcal/mol	Ccr	Papina and Kolesov, 1985	ALS
Δ_fH°_liquid	-9.7	kcal/mol	Cm	Kirkbride, 1956	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-226.5 ± 0.69	kcal/mol	Ccr	Papina and Kolesov, 1985	ALS
Δ_cH°_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

C_p,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

Reaction thermochemistry data

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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

= + Trichloroethylene

By formula: C₂H₂Cl₄ = HCl + C₂HCl₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.5	kcal/mol	Eqk	Levanova, Bushneva, et al., 1979	gas phase
Δ_rH°	10.85	kcal/mol	Eqk	Levanova, Bushneva, et al., 1976	liquid phase; At 333 K

= + Trichloroethylene

By formula: C₂H₂Cl₄ = HCl + C₂HCl₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.2	kcal/mol	Eqk	Levanova, Bushneva, et al., 1979	liquid phase
Δ_rH°	10.7	kcal/mol	Eqk	Levanova, Bushneva, et al., 1979	gas phase

H₂CaO₂ + 2 = CaCl₂ + 2 + 2 Trichloroethylene

By formula: H₂CaO₂ + 2C₂H₂Cl₄ = CaCl₂ + 2H₂O + 2C₂HCl₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-36.	kcal/mol	Cm	Kirkbride, 1956	liquid phase

+ Trichloroethylene =

By formula: Cl₂ + C₂HCl₃ = C₂HCl₅

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-36.2	kcal/mol	Cm	Kirkbride, 1956	liquid phase

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
0.10	4600.	L	N/A
0.12	3600.	M	N/A
0.13		M	N/A
0.11		M	N/A
0.097	3500.	M	N/A
0.11	4400.	X	N/A
0.12	3900.	X	N/A
0.11	4200.	M	N/A
0.10	4100.	X	N/A
0.085		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.10	5200.	X	N/A
0.13	5200.	M	N/A
0.098	2100.	X	N/A
0.096	3700.	X	N/A
0.11	4800.	M	Gossett, 1987
0.096	4700.	X	N/A
0.11	4300.	X	N/A
0.098	4900.	X	N/A
0.099	4900.	M	N/A
0.088	1600.	X	N/A
0.10	4700.	X	Leighton and Calo, 1981
0.082		L	N/A
0.074	4800.	X	N/A
0.081	4000.	X	N/A
0.083		V	N/A
0.10		V	N/A	Value at T = 293. K.
0.24		V	N/A	Value at T = 275. K.
0.085		V	N/A
0.11		M	Pearson and McConnell, 1975	The same data was also published in missing citation. Value at T = 293. K.

References

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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]

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]

Gossett, 1987
Gossett, J.M., Measurement of Henry's Law Constants for C1 and C2 Chlorinated Hydrocarbons, Environ. Sci. Technol., 1987, 21, 202-208. [all data]

Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M., Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications, J. Chem. Eng. Data, 1981, 26, 382-385. [all data]

Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G., Chlorinated C1 and C2 Hydrocarbons in the Marine Environment, Proc. R. Soc. London, B, 1975, 189, 305-332. [all data]

Notes

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Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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