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
Δfgas-132.5 ± 3.5kJ/molReviewManion, 2002employed hydrochlorination equilibrium measurements of Levanova, Treger, et al., 1976 with increased uncertainty to reflect other data; DRB
Δfgas-127.6 ± 1.1kJ/molChydLacher, Amador, et al., 1967Reanalyzed by Cox and Pilcher, 1970, Original value = -128. ± 1.1 kJ/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
Δfliquid-163.3 ± 3.5kJ/molReviewManion, 2002derived from recommended ΔfHgas° and ΔvapH°; DRB
Quantity Value Units Method Reference Comment
Δcliquid-1246.8 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1244. ± 8. kJ/mol; ALS
Quantity Value Units Method Reference Comment
liquid211.75J/mol*KN/ALi and Pitzer, 1956DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
126.27298.15Li and Pitzer, 1956T = 14 to 294 K.; DH
127.2298.Kurbatov, 1948T = -51 to 55°C, mean Cp, four temperatures.; DH
120.9298.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
Pc50.61barN/AGarcia-Sanchez and Trejo Rodriguez, 1987Uncertainty assigned by TRC = 0.10 bar; Visual, mean of four samples. R150a; TRC
Quantity Value Units Method Reference Comment
Δvap30.77kJ/molN/AMajer and Svoboda, 1985 
Δvap30.83 ± 0.08kJ/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB
Δvap30.62 ± 0.14kJ/molCLaynez and Wadso, 1972ALS
Δvap30.6 ± 0.1kJ/molCLaynez, Wadsö, et al., 1972AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.000293.N/ALi and Pitzer, 1956P = 30.32 kPA; DH
28.85330.4N/AMajer and Svoboda, 1985 
33.5336.N/AGarcia-Sanchez and Trejo, 1987Based on data from 326. to 345. K.; AC
29.2338.AStephenson and Malanowski, 1987Based on data from 323. to 535. K.; AC
28.2378.AStephenson and Malanowski, 1987Based on data from 363. to 535. K.; AC
31. ± 29.293.VLi and Pitzerk, 1956ALS
31.9275.N/ALi and Pitzer, 1956Based on data from 234. to 290. K.; AC
34.4228.N/AStull, 1947Based on data from 213. to 330. K.; AC

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
105.81293.Li and Pitzer, 1956P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
234.38 to 290.764.194311215.342-40.26Li and Pitzer, 1956Coefficents calculated by NIST from author's data.
212.5 to 330.64.221531229.158-39.204Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.870176.18Li and Pitzer, 1956DH
7.87176.2Acree, 1991AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
44.67176.18Li 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
Δr-140.8 ± 1.0kJ/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -145.0 ± 0.50 kJ/mol; At 250C

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

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Δr74.5kJ/molEqkLevanova, Bushneva, et al., 1979liquid phase
Δr61.9kJ/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
Δr7.9 ± 0.4kJ/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
Δr-9.6 ± 1.4kJ/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
Δr-92.68kJ/molEqkLevanova, Treger, et al., 1976gas phase

Gas phase ion energetics 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 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

Quantity Value Units Method Reference Comment
IE (evaluated)11.04 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
11.02PEBerman, Anicich, et al., 1979LLK
11.06PIBerman, Anicich, et al., 1979LLK
11.23 ± 0.02PEKatsumata and Kimura, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4Cl+11.20?PIBerman, Anicich, et al., 1979LLK

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

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]

Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L., Stabilities of isomeric halonium ions C2H4X+ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions, J. Am. Chem. Soc., 1979, 101, 1239. [all data]

Katsumata and Kimura, 1975
Katsumata, S.; Kimura, K., Photoelectron spectra and sum rule consideration. Effect of chlorine substitution on ionization energies for chloroethanes, chloroacetaldehydes and chloroacetyl chlorides, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 309. [all data]


Notes

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