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Ethane, 1,1-dichloro-

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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-31.67 ± 0.84kcal/molReviewManion, 2002employed hydrochlorination equilibrium measurements of Levanova, Treger, et al., 1976 with increased uncertainty to reflect other data; DRB
Deltafgas-30.50 ± 0.27kcal/molChydLacher, Amador, et al., 1967Reanalyzed by Cox and Pilcher, 1970, Original value = -30.7 ± 0.27 kcal/mol; At 250C; 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-39.03 ± 0.84kcal/molReviewManion, 2002derived from recommended «DELTA»fHgas° and «DELTA»vapH°; DRB
Quantity Value Units Method Reference Comment
Deltacliquid-298.0 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -297. ± 2. kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid50.609cal/mol*KN/ALi and Pitzer, 1956DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
30.179298.15Li and Pitzer, 1956T = 14 to 294 K.; DH
30.40298.Kurbatov, 1948T = -51 to 55°C, mean Cp, four temperatures.; DH
28.90298.von Reis, 1881T = 287 to 344 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
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
Tboil330.5 ± 0.5KAVGN/AAverage of 18 out of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus174.KN/AVan de Vloed, 1939Uncertainty assigned by TRC = 1.5 K; TRC
Tfus176.7KN/ATimmermans, 1935Uncertainty assigned by TRC = 1. K; TRC
Tfus176.5KN/ATimmermans, 1911Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple176.18KN/ALi and Pitzer, 1956Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc523.4KN/AGarcia-Sanchez and Trejo Rodriguez, 1987Uncertainty assigned by TRC = 0.2 K; Visual, mean of four samples. R150a; TRC
Quantity Value Units Method Reference Comment
Pc49.95atmN/AGarcia-Sanchez and Trejo Rodriguez, 1987Uncertainty assigned by TRC = 0.099 atm; Visual, mean of four samples. R150a; TRC
Quantity Value Units Method Reference Comment
Deltavap7.354kcal/molN/AMajer and Svoboda, 1985 
Deltavap7.37 ± 0.02kcal/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB
Deltavap7.318 ± 0.033kcal/molCLaynez and Wadso, 1972ALS
Deltavap7.31 ± 0.02kcal/molCLaynez, Wadsö, et al., 1972AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.4092293.N/ALi and Pitzer, 1956P = 30.32 kPA; DH
6.895330.4N/AMajer and Svoboda, 1985 
8.01336.N/AGarcia-Sanchez and Trejo, 1987Based on data from 326. - 345. K.; AC
6.98338.AStephenson and Malanowski, 1987Based on data from 323. - 535. K.; AC
6.74378.AStephenson and Malanowski, 1987Based on data from 363. - 535. K.; AC
7.4 ± 7.0293.VLi and Pitzerk, 1956ALS
7.62275.N/ALi and Pitzer, 1956Based on data from 234. - 290. K.; AC
8.22228.N/AStull, 1947Based on data from 213. - 330. K.; AC

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
25.289293.Li and Pitzer, 1956P; DH

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
234.38 - 290.764.188601215.342-40.26Li and Pitzer, 1956Coefficents calculated by NIST from author's data.
212.5 - 330.64.215821229.158-39.204Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.881176.18Li and Pitzer, 1956DH
1.88176.2Acree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.68176.18Li and Pitzer, 1956DH

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

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

By formula: 2H2 + C2H4Cl2 = C2H6 + 2HCl

Quantity Value Units Method Reference Comment
Deltar-33.66 ± 0.25kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -34.65 ± 0.12 kcal/mol; At 250C

Ethane, 1,1-dichloro- = Ethene, chloro- + Hydrogen chloride

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Deltar17.8kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase
Deltar14.8kcal/molEqkLevanova, Bushneva, et al., 1979gas phase

21-Bromo-1-chloroethane = Ethane, 1,1-dibromo- + Ethane, 1,1-dichloro-

By formula: 2C2H4BrCl = C2H4Br2 + C2H4Cl2

Quantity Value Units Method Reference Comment
Deltar1.9 ± 0.1kcal/molEqkBusheva, Levanova, et al., 1980gas phase; Dehydrohalogenation

Ethane, 1,1-dichloro- = Ethane, 1,2-dichloro-

By formula: C2H4Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
Deltar-2.30 ± 0.33kcal/molEqkRozhnov, 1968gas phase; Heat of isomerization at 385 K

Ethene, chloro- + Hydrogen chloride = Ethane, 1,1-dichloro-

By formula: C2H3Cl + HCl = C2H4Cl2

Quantity Value Units Method Reference Comment
Deltar-22.15kcal/molEqkLevanova, Treger, et al., 1976gas 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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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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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 291461

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]

Levanova, Treger, et al., 1976
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M., Equilibria in the reactions of vinyl chloride, Russ. J. Phys. Chem. (Engl. Transl.), 1976, 50, 1148. [all data]

Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D., Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane, Trans. Faraday Soc., 1967, 63, 1608-1611. [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]

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]

Li and Pitzer, 1956
Li, J.C.M.; Pitzer, K.S., The thermodynamic properties of 1,1-dichloroethane: heat capacities from 14 to 294 K., heats of fusion and vaporization, vapor pressure and entropy of the ideal gas. The barrier to internal rotation, J. Am. Chem. Soc., 1956, 78, 1077-1080. [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]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Van de Vloed, 1939
Van de Vloed, A., Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Timmermans, 1911
Timmermans, J., Researches on the freezing point of organic liquid compounds, Bull. Soc. Chim. Belg., 1911, 25, 300. [all data]

Garcia-Sanchez and Trejo Rodriguez, 1987
Garcia-Sanchez, F.; Trejo Rodriguez, A., Vapor pressure and critical constants of 1,1-dichloroethane, J. Chem. Thermodyn., 1987, 19, 359. [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]

Laynez and Wadso, 1972
Laynez, J.; Wadso, I., Enthalpies of vaporization of organic compounds. IX. Some halogen substituted hydrocarbons and esters, Acta Chem. Scand., 1972, 26, 3148. [all data]

Laynez, Wadsö, et al., 1972
Laynez, José; Wadsö, Ingemar; Haug, Arne; Songstad, J.; Pilotti, Åke, Enthalpies of Vaporization of Organic Compounds. IX. Some Halogen Substituted Hydrocarbons and Esters., Acta Chem. Scand., 1972, 26, 3148-3152, https://doi.org/10.3891/acta.chem.scand.26-3148 . [all data]

Garcia-Sanchez and Trejo, 1987
Garcia-Sanchez, Fernando; Trejo, Arturo, Vapour pressure and critical constants of 1,1-dichloroethane, The Journal of Chemical Thermodynamics, 1987, 19, 4, 359-361, https://doi.org/10.1016/0021-9614(87)90118-2 . [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]

Li and Pitzerk, 1956
Li, J.C.M.; Pitzerk, K.S., The thermodynamic properties of 1,1-dichloroethane: Heat capacities from 14 to 194°K., heats of fusion and vaporization, vapor pressure and entropy of the ideal gas. The barrier to internal rotation, J. Am. Chem. Soc., 1956, 78, 1077-10. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [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]

Busheva, Levanova, et al., 1980
Busheva, L.I.; Levanova, S.V.; Rodova, R.M.; Rozhnov, A.M., Thermocatalytic reactions of 1,1-bromochloroethane, Russ. J. Phys. Chem. (Engl. Transl.), 1980, 54, 1403-1404. [all data]

Rozhnov, 1968
Rozhnov, A.M., Equilibrium of dichloroethane isomerization, Neftekhimiya, 1968, 8, 431-434. [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