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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
Deltacliquid-296.45 ± 0.38kcal/molCcbSmith and Bjellerup, 1947ALS
Deltacliquid-290.57kcal/molCcbPopoff and Schirokich, 1933At 288 °K; ALS
Quantity Value Units Method Reference Comment
liquid53.370cal/mol*KN/APitzer, 1940DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
32.19298.15Shehatta, 1993DH
32.27298.15Wilhelm, Schano, et al., 1969T = 20, 30, 40°C.; DH
32.60300.Findenegg, Gruber, et al., 1965DH
32.22293.D'hont and Jungers, 1949DH
32.299310.Wuyts and Jungers, 1949DH
32.19398.Kurbatov, 1948T = 16 to 127°C, mean Cp, four temperatures.; DH
32.50298.15Pitzer, 1940T = 15 to 300 K.; DH
30.95300.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
Deltavap9. ± 3.kcal/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.9857404.7N/ASvoboda, Kubes, et al., 1992DH
8.310404.8N/AMajer and Svoboda, 1985 
9.99300.N/AGoto, Fujinawa, et al., 1996Based on data from 283. - 317. K.; AC
9.97 ± 0.02308.CSvoboda, Kubes, et al., 1992AC
9.97 ± 0.02315.CSvoboda, Kubes, et al., 1992AC
9.94 ± 0.02323.CSvoboda, Kubes, et al., 1992AC
9.92 ± 0.02330.CSvoboda, Kubes, et al., 1992AC
9.89 ± 0.02338.CSvoboda, Kubes, et al., 1992AC
9.56331.AStephenson and Malanowski, 1987Based on data from 316. - 488. K.; AC
8.94419.AStephenson and Malanowski, 1987Based on data from 404. - 578. K.; AC
11.9291.MM,ACall, 1957Based on data from 285. - 298. K.; AC
9.46340.N/ADreisbach and Shrader, 1949Based on data from 325. - 404. K. See also Dreisbach and Martin, 1949.; AC
7.43261.N/AStull, 1947Based on data from 246. - 404. K.; 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
246. - 404.77.363434101.146153.034Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
13.1239.N/AGoto, Fujinawa, et al., 1996Based on data from 229. - 248. K.; AC
11.9258.AGoto, Fujinawa, et al., 1996Based on data from 251. - 281. K. See also Stull, 1947 and Stephenson and Malanowski, 1987.; AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
1.86249.5Domalski and Hearing, 1996CAL
9.240283.

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.46379249.54crystaline, IIcrystaline, IPitzer, 1940DH
2.61580283.0crystaline, IliquidPitzer, 1940DH
0.4493250.6crystaline, IIcrystaline, IRailing, 1939DH
2.5896283.1crystaline, IliquidRailing, 1939DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.86249.54crystaline, IIcrystaline, IPitzer, 1940DH
9.242283.0crystaline, IliquidPitzer, 1940DH
1.8250.6crystaline, IIcrystaline, IRailing, 1939DH
9.15283.1crystaline, 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
Deltar-3.12 ± 0.13kcal/molEqkIzmailov, Rozhnov, et al., 1974gas phase
Deltar2.90 ± 0.30kcal/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
Deltar-28.90 ± 0.30kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.06 ± 0.30 kcal/mol; At 355 °K

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

By formula: C2H4Br2 = HBr + C2H3Br

Quantity Value Units Method Reference Comment
Deltar19.1 ± 0.4kcal/molEqkLevanova, Rozhnov, et al., 1970gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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, 1990.
NIST MS number 118846

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.


Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Trans form     Symmetry:   C2h     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

ag 1 CH2 s-str 2972  D  ia 2972 p liq.
ag 2 CH2 scis 1440  C  ia 1440 dp liq.
ag 3 CH2 wag 1255  C  ia 1255 p liq. SF(«nu»12)
ag 4 CC str 1053  C  ia 1053 dp liq.
ag 5 CBr str 660  C  ia 660 p liq.
ag 6 CCBr deform 190  C  ia 190 p liq.
au 7 CH2 a-str 3037  D 3037 S liq.  ia
au 8 CH2 twist 1087  C 1087 M liq.  ia
au 9 CH2 rock 753  C 753 S liq.  ia
au 10 Torsion 118  D 118 gas 132
bg 11 CH2 a-str 3013  D  ia 3013 dp
bg 12 CH2 twist 1255  C  ia 1255 p SF(«nu»3)
bg 13 CH2 rock 933  C  ia 933 p
bu 14 CH2 s-str 2974  D 2974 S liq.  ia
bu 15 CH2 scis 1441  D 1441 M liq.  ia
bu 16 CH2 wag 1186  C 1186 VS liq. 1186 liq.
bu 17 CBr str 589  C 589 S liq.  ia
bu 18 CCBr deform 193  D 193 liq.  ia

Source: Shimanouchi, 1972

Gauche form     Symmetry:   C2     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a 1 CH2 a-str 3005  D 3005 liq. SF(«nu»11)
a 2 CH2 s-str 2953  D 2953 VS liq. 2953 p liq. SF(«nu»12)
a 3 CH2 scis 1420  C 1420 M liq. 1419 dp liq. SF(«nu»13)
a 4 CH2 wag 1278  C 1278 M liq. 1276 liq.
a 5 CH2 twist 1104  C 1104 M liq. 1104 dp liq. SF(«nu»15)
a 6 CC str 1019  C 1019 M liq. 1019 liq.
a 7 CH2 rock 898  C 898 M liq. 899 p liq.
a 8 CBr str 550  C 550 M liq. 551 liq.
a 9 CCBr deform 231  C 231 p liq.
a 10 Torsion 91  D 91 dp liq.
b 11 CH2 a-str 3005  D 3005 liq. SF(«nu»1)
b 12 CH2 s-str 2953  D 2953 VS liq. 2953 p liq. SF(«nu»2)
b 13 CH2 scis 1420  C 1420 M liq. 1419 dp liq. SF(«nu»3)
b 14 CH2 wag 1245  C 1245 S liq. 1243 liq.
b 15 CH2 twist 1104  C 1104 W liq. 1104 dp liq. SF(«nu»5)
b 16 CH2 rock 836  C 836 S liq. 836 dp liq.
b 17 CBr str 589  C 589 S liq. 583 dp liq.
b 18 CCBr deform 355  C 355 liq. 355 dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
iaInactive
pPolarized
dpDepolarized
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References