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Ethane, 1,1,2-trichloro-

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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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-35.4 ± 1.kcal/molReviewManion, 2002derived from recommended «DELTA»fHliquid° and «DELTA»vapH°; DRB
Deltafgas-35.4 ± 1.1kcal/molCcrPapina and Kolesov, 1987Hf_HCl.600H2O; ALS

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:
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
Deltafliquid-45.0 ± 1.kcal/molReviewManion, 2002weighted average of several measurements; DRB
Deltafliquid-45.1 ± 1.1kcal/molCcrPapina and Kolesov, 1987Hf_HCl.600H2O; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-262.5 ± 1.1kcal/molCcrPapina and Kolesov, 1987Hf_HCl.600H2O; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
34.20251.7Crowe and Smyth, 1950T = 117 to 252 K. Value is unsmoothed experimental datum.; 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
AC - William E. Acree, Jr., James S. Chickos
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
Tboil386.8 ± 0.8KAVGN/AAverage of 13 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus237.9KN/AGolovanova and Kolesov, 1984Uncertainty assigned by TRC = 0.2 K; TRC
Tfus236.55KN/AAnonymous, 1968TRC
Tfus236.6KN/ADreisbach, 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus236.5KN/ATimmermans and Hennaut-Roland, 1955Uncertainty assigned by TRC = 0.2 K; TRC
Tfus236.58KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Ttriple237.1KN/ACrowe and Smyth, 1950, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc602.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap9.62 ± 0.03kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.322386.9N/AMajer and Svoboda, 1985 
9.23331.AStephenson and Malanowski, 1987Based on data from 316. - 384. K.; AC
9.13317.N/AStephenson and Malanowski, 1987Based on data from 302. - 428. K. See also Dykyj, 1970.; AC
9.15 ± 0.15330.33VWilliamson and Harrison, 1957ALS
9.15338.N/ADreisbach and Shrader, 1949Based on data from 323. - 386. K. See also Dreisbach and Martin, 1949, 2.; 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
323.12 - 386.824.064031310.297-64.41Dreisbach and Shrader, 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.6004237.9Golovanova and Kolesov, 1984, 2DH
2.720237.1Domalski and Hearing, 1996AC
2.7199237.1Crowe and Smyth, 1950DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.9237.9Golovanova and Kolesov, 1984, 2DH
11.5237.1Crowe and Smyth, 1950DH

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

Ethane, 1,1,2-trichloro- = Ethene, 1,1-dichloro- + Hydrogen chloride

By formula: C2H3Cl3 = C2H2Cl2 + HCl

Quantity Value Units Method Reference Comment
Deltar12.3kcal/molEqkLevanova, Bushneva, et al., 1979gas phase
Deltar15.6kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase

Ethane, 1,2-dichloro- + Chlorine = Hydrogen chloride + Ethane, 1,1,2-trichloro-

By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3

Quantity Value Units Method Reference Comment
Deltar-27.8kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination

Ethylene, 1,2-dichloro-, (Z)- + Hydrogen chloride = Ethane, 1,1,2-trichloro-

By formula: C2H2Cl2 + HCl = C2H3Cl3

Quantity Value Units Method Reference Comment
Deltar-14.6kcal/molCmLevanova, Treger, et al., 1975liquid phase

Ethane, 1,1,2-trichloro- = Ethane, 1,1,1-trichloro-

By formula: C2H3Cl3 = C2H3Cl3

Quantity Value Units Method Reference Comment
Deltar2.0kcal/molCisoLevanova, Treger, et al., 1975gas phase

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

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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: 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.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291343

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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, 1987
Papina, T.S.; Kolesov, V.P., Standard enthalpy of formation of 1,1,2-trichloroethane, Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 1170-1172. [all data]

Crowe and Smyth, 1950
Crowe, R.W.; Smyth, C.P., Heat capacities, dielectric constants and molecular rotational freedom in solid trichloroethanes and disubstituted propanes, J. Am. Chem. Soc., 1950, 72, 4009-4015. [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]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

Dreisbach, 1955
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [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]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Crowe and Smyth, 1950, 2
Crowe, R.W.; Smyth, C.P., Heat capacities, dielectric constants and molecular rotational freedom in solid trichloroethanes and disubstituted propanes, J. Am. Chem. Soc., 1950, 72, 4009. [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]

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]

Williamson and Harrison, 1957
Williamson, K.D.; Harrison, R.H., Heats of vaporization of 1,1,2-trichloroethane, 1-propanol, and 2-propanol; vapor heat capacity of 1,1,2-trichloroethane, J. Chem. Phys., 1957, 26, 1409-14. [all data]

Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A., Vapor Pressure--Temperature Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054 . [all data]

Dreisbach and Martin, 1949, 2
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2875-2878, https://doi.org/10.1021/ie50480a053 . [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]

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]

Levanova, Treger, et al., 1975
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M.; Khlestkov, A.I.; Pisarev, V.V., Liquid-phase hydrochlorination of symmetrical dichloroethylenes, J. Appl. Chem. USSR, 1975, 48, 1628-1631, In original 1574. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References