Ethane, 1,2-dibromo-

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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:
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
Δcliquid-1240.3 ± 1.6kJ/molCcbSmith and Bjellerup, 1947ALS
Δcliquid-1215.7kJ/molCcbPopoff and Schirokich, 1933At 288 °K; ALS
Quantity Value Units Method Reference Comment
liquid223.30J/mol*KN/APitzer, 1940DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
134.7298.15Shehatta, 1993DH
135.0298.15Wilhelm, Schano, et al., 1969T = 20, 30, 40°C.; DH
136.4300.Findenegg, Gruber, et al., 1965DH
134.8293.D'hont and Jungers, 1949DH
135.14310.Wuyts and Jungers, 1949DH
134.7398.Kurbatov, 1948T = 16 to 127°C, mean Cp, four temperatures.; DH
136.0298.15Pitzer, 1940T = 15 to 300 K.; DH
129.5300.Railing, 1939T = 90 to 320 K. Data graphically only. Value read from graph.; 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil404. ± 2.KAVGN/AAverage of 33 out of 37 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus282.9 ± 0.4KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple283.0KN/APitzer, 1940, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δvap39. ± 10.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
41.780404.7N/ASvoboda, Kubes, et al., 1992DH
34.77404.8N/AMajer and Svoboda, 1985 
41.8300.N/AGoto, Fujinawa, et al., 1996Based on data from 283. - 317. K.; AC
41.7 ± 0.1308.CSvoboda, Kubes, et al., 1992AC
41.7 ± 0.1315.CSvoboda, Kubes, et al., 1992AC
41.6 ± 0.1323.CSvoboda, Kubes, et al., 1992AC
41.5 ± 0.1330.CSvoboda, Kubes, et al., 1992AC
41.4 ± 0.1338.CSvoboda, Kubes, et al., 1992AC
40.0331.AStephenson and Malanowski, 1987Based on data from 316. - 488. K.; AC
37.4419.AStephenson and Malanowski, 1987Based on data from 404. - 578. K.; AC
49.6291.MM,ACall, 1957Based on data from 285. - 298. K.; AC
39.6340.N/ADreisbach and Shrader, 1949Based on data from 325. - 404. K. See also Dreisbach and Martin, 1949.; AC
31.1261.N/AStull, 1947Based on data from 246. - 404. K.; AC

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
246. - 404.77.369144101.146153.034Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
54.8239.N/AGoto, Fujinawa, et al., 1996Based on data from 229. - 248. K.; AC
49.8258.AGoto, Fujinawa, et al., 1996Based on data from 251. - 281. K. See also Stull, 1947 and Stephenson and Malanowski, 1987.; AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
7.78249.5Domalski and Hearing, 1996CAL
38.66283.

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.9405249.54crystaline, IIcrystaline, IPitzer, 1940DH
10.9445283.0crystaline, IliquidPitzer, 1940DH
1.880250.6crystaline, IIcrystaline, IRailing, 1939DH
10.835283.1crystaline, IliquidRailing, 1939DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
7.78249.54crystaline, IIcrystaline, IPitzer, 1940DH
38.67283.0crystaline, IliquidPitzer, 1940DH
7.5250.6crystaline, IIcrystaline, IRailing, 1939DH
38.3283.1crystaline, IliquidRailing, 1939DH

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-dibromo- = Ethane, 1,2-dibromo-

By formula: C2H4Br2 = C2H4Br2

Quantity Value Units Method Reference Comment
Δr-13.05 ± 0.52kJ/molEqkIzmailov, Rozhnov, et al., 1974gas phase
Δr12.1 ± 1.3kJ/molEqkLevanova, Rozhnov, et al., 1970gas phase; Heat of isomerization at 484 K

Ethylene + Bromine = Ethane, 1,2-dibromo-

By formula: C2H4 + Br2 = C2H4Br2

Quantity Value Units Method Reference Comment
Δr-120.9 ± 1.3kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -121.6 ± 1.3 kJ/mol; At 355 °K

Ethane, 1,2-dibromo- = Hydrogen bromide + Vinyl bromide

By formula: C2H4Br2 = HBr + C2H3Br

Quantity Value Units Method Reference Comment
Δr80. ± 2.kJ/molEqkLevanova, Rozhnov, et al., 1970gas 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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
IE (evaluated)10.35 ± 0.04eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.37PIBerman, Anicich, et al., 1979LLK
10.42PEBerman, Anicich, et al., 1979LLK
10.2PEGan, Peel, et al., 1978LLK
10.38PEGan, Peel, et al., 1978LLK
10.37PIStaley, Wieting, et al., 1977LLK
10.58 ± 0.10PEGan, Peel, et al., 1978Vertical value; LLK
10.44 ± 0.10PEGan, Peel, et al., 1978Vertical value; LLK
10.57 ± 0.02PEChau and McDowell, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2Br+12.34CH2BrEIHolmes, Lossing, et al., 1988LL
C2H4Br+10.53?PIBerman, Anicich, et al., 1979LLK
C2H4Br+10.53BrPIStaley, Wieting, et al., 1977LLK

References

Go To: Top, 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.

Smith and Bjellerup, 1947
Smith, L.; Bjellerup, L., Neue Versuche mit beweglicher calorimetrischer Bombe, Acta Chem. Scand., 1947, 1, 566-570. [all data]

Popoff and Schirokich, 1933
Popoff, M.M.; Schirokich, P.K., Ein Calorimeter zum Verbrennen von Chlor- und Bromderivaten, Z. Phys. Chem. (Leipzig), 1933, 167, 183-187. [all data]

Pitzer, 1940
Pitzer, K.S., The heat capacities, heats of transition and fusion, and entropies of ethylene dichloride and ethylene dibromide, J. Am. Chem. Soc., 1940, 62, 331-335. [all data]

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Wilhelm, Schano, et al., 1969
Wilhelm, E.; Schano, R.; Becker, G.; Findenegg, G.H.; Kohler, F., Molar heat capacity at constant volume. Binary mixtures of 1,2-dichloroethane and 1,2-dibromoethane with cyclohexane, Trans. Faraday Soc., 1969, 65, 1443-1455. [all data]

Findenegg, Gruber, et al., 1965
Findenegg, G.H.; Gruber, K.; Pereira, J.F.; Kohler, F., Kalorimetrische Messungen an Mischungen von Nichtelektrolyten, 1. Mitt.: Molwarme des Systems 1,2-Dibromathan-Benzol, Monatsh. Chem., 1965, 96, 669-678. [all data]

D'hont and Jungers, 1949
D'hont, M.; Jungers, J.C., La chaleur molaire des 1,1'-dibromethanes et 1,1',2-tribromethanes en phase liquide, Bull. Soc. Chim. Belg., 1949, 58, 196-204. [all data]

Wuyts and Jungers, 1949
Wuyts, J.; Jungers, J.C., Les chaleurs molaires des bibromures de deuteroethylene, Bull. Soc. Chim. Belg., 1949, 58, 80-86. [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]

Railing, 1939
Railing, W.E., The specific heat of some ethylene halides, J. Am. Chem. Soc., 1939, 61, 3349-3353. [all data]

Pitzer, 1940, 2
Pitzer, K.S., The Heat Capacities, Heats of Transition and Fusion, and Entropies of Ethylene Dichloride and Ethylene Dibromide, J. Am. Chem. Soc., 1940, 62, 331-5. [all data]

Svoboda, Kubes, et al., 1992
Svoboda, V.; Kubes, V.; Basarova, P., Enthalpies of vaporization and cohesive energies of 1,1,2,2-tetrachloro-1,2-difluoroethane, 1,2-dibromoethane, 1-bromo-2-chloroethane, 1,3-dibromo-propane, and 1,4-dibromo-2,3-dichloro-1,1,2,3,4,4-hexafluorobutane, J. Chem. Thermodyn., 1992, 24, 555-558. [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]

Goto, Fujinawa, et al., 1996
Goto, Hirotoshi; Fujinawa, Tasuku; Asahi, Hidemasa; Inabe, Tamotsu; Ogata, Hironori; Miyajima, Seiichi; Maruyama, Yusei, Crystal Structures and Physical Properties of 1,6-Diaminopyrene-p-chloranil (DAP-CHL) Charge-Transfer Complex. Two Polymorphs and Their Unusual Electrical Properties., Bull. Chem. Soc. Jpn., 1996, 69, 1, 85-93, https://doi.org/10.1246/bcsj.69.85 . [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]

Call, 1957
Call, F., Determination of the vapour pressure of ethylene dibromide, J. Sci. Food Agric., 1957, 8, 2, 81-85, https://doi.org/10.1002/jsfa.2740080204 . [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
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]

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]

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]

Izmailov, Rozhnov, et al., 1974
Izmailov, V.D.; Rozhnov, A.M.; Sharonov, K.G., Equilibrium in the isomerisation of 1,1-dibromoethane and 1,1-dibromopropane, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 289-290. [all data]

Levanova, Rozhnov, et al., 1970
Levanova, S.V.; Rozhnov, A.M.; Sedov, S.M.; Starkov, V.Ya.; Manzohos, V.N., Equilibrium reactions of dibromoethane, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1970, 13, 62-65. [all data]

Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [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]

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]

Gan, Peel, et al., 1978
Gan, T.H.; Peel, J.B.; Willett, G.D., Photoelectron spectra of the gauche and trans conformers of 1,2-dibromoethane, J. Mol. Struct., 1978, 44, 211. [all data]

Staley, Wieting, et al., 1977
Staley, R.H.; Wieting, R.D.; Beauchamp, J.L., Carbenium ion stabilities in the gas phase and solution. An ion cyclotron resonance study of bromide transfer reactions involving alkali ions, alkyl carbenium ions, acyl cations and cyclic halonium ions, J. Am. Chem. Soc., 1977, 99, 5964. [all data]

Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A., Photoelectron spectra of 1,2 dichloro-, 1,2 dibromo- and 1,2 diiodo-ethane, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 365. [all data]

Holmes, Lossing, et al., 1988
Holmes, J.L.; Lossing, F.P.; McFarlane, R.A., Stabilization energy and positional effects in halogen-substituted alkyl ions., Int. J. Mass Spectrom. Ion Phys., 1988, 86, 209. [all data]


Notes

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