Ethane, 1,2-dibromo-
- Formula: C2H4Br2
- Molecular weight: 187.861
- IUPAC Standard InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N
- CAS Registry Number: 106-93-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: α,β-Dibromoethane; sym-Dibromoethane; Aadibroom; Bromofume; Dowfume W-8; Dowfume W85; Ethylene bromide; Ethylene dibromide; EDB; Glycol Dibromide; Iscobrome D; Nefis; Sanhyuum; Soilfume; 1,2-Dibromoethane; CH2BrCH2Br; Dibromoethane; Aethylenbromid; Bromuro di etile; Celmide; DBE; 1,2-Dibromaethan; 1,2-Dibromoetano; Dibromure D'ethylene; 1,2-Dibroomethaan; Dowfume 40; Dowfume edb; Dowfume W-90; Dowfume W-100; Dwubromoetan; EDB-85; E-D-Bee; ENT 15,349; 1,2-Ethylene dibromide; Fumo-gas; Kopfume; NCI-C00522; Nephis; Pestmaster edb-85; Rcra waste number U067; Soilbrom; Soilbrom-40; Soilbrom-85; Soilbrom-90; Soilbrom-100; Soilbrome-85; Soilbrom-90ec; UN 1605; Unifume; Edabrom; α,ω-Dibromoethane; 1,2-dibromoethane (EDB)
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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 |
---|---|---|---|---|---|
ΔcH°liquid | -1240.3 ± 1.6 | kJ/mol | Ccb | Smith and Bjellerup, 1947 | ALS |
ΔcH°liquid | -1215.7 | kJ/mol | Ccb | Popoff and Schirokich, 1933 | At 288 °K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 223.30 | J/mol*K | N/A | Pitzer, 1940 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
134.7 | 298.15 | Shehatta, 1993 | DH |
135.0 | 298.15 | Wilhelm, Schano, et al., 1969 | T = 20, 30, 40°C.; DH |
136.4 | 300. | Findenegg, Gruber, et al., 1965 | DH |
134.8 | 293. | D'hont and Jungers, 1949 | DH |
135.14 | 310. | Wuyts and Jungers, 1949 | DH |
134.7 | 398. | Kurbatov, 1948 | T = 16 to 127°C, mean Cp, four temperatures.; DH |
136.0 | 298.15 | Pitzer, 1940 | T = 15 to 300 K.; DH |
129.5 | 300. | Railing, 1939 | T = 90 to 320 K. Data graphically only. Value read from graph.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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 |
---|---|---|---|---|---|
Tboil | 404. ± 2. | K | AVG | N/A | Average of 33 out of 37 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 282.9 ± 0.4 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 283.0 | K | N/A | Pitzer, 1940, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 39. ± 10. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
41.780 | 404.7 | N/A | Svoboda, Kubes, et al., 1992 | DH |
34.77 | 404.8 | N/A | Majer and Svoboda, 1985 | |
41.8 | 300. | N/A | Goto, Fujinawa, et al., 1996 | Based on data from 283. to 317. K.; AC |
41.7 ± 0.1 | 308. | C | Svoboda, Kubes, et al., 1992 | AC |
41.7 ± 0.1 | 315. | C | Svoboda, Kubes, et al., 1992 | AC |
41.6 ± 0.1 | 323. | C | Svoboda, Kubes, et al., 1992 | AC |
41.5 ± 0.1 | 330. | C | Svoboda, Kubes, et al., 1992 | AC |
41.4 ± 0.1 | 338. | C | Svoboda, Kubes, et al., 1992 | AC |
40.0 | 331. | A | Stephenson and Malanowski, 1987 | Based on data from 316. to 488. K.; AC |
37.4 | 419. | A | Stephenson and Malanowski, 1987 | Based on data from 404. to 578. K.; AC |
49.6 | 291. | MM,A | Call, 1957 | Based on data from 285. to 298. K.; AC |
39.6 | 340. | N/A | Dreisbach and Shrader, 1949 | Based on data from 325. to 404. K. See also Dreisbach and Martin, 1949.; AC |
31.1 | 261. | N/A | Stull, 1947 | Based on data from 246. to 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. to 404.7 | 7.36914 | 4101.146 | 153.034 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
54.8 | 239. | N/A | Goto, Fujinawa, et al., 1996 | Based on data from 229. to 248. K.; AC |
49.8 | 258. | A | Goto, Fujinawa, et al., 1996 | Based on data from 251. to 281. K. See also Stull, 1947 and Stephenson and Malanowski, 1987.; AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.78 | 249.5 | Domalski and Hearing, 1996 | CAL |
38.66 | 283. |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.9405 | 249.54 | crystaline, II | crystaline, I | Pitzer, 1940 | DH |
10.9445 | 283.0 | crystaline, I | liquid | Pitzer, 1940 | DH |
1.880 | 250.6 | crystaline, II | crystaline, I | Railing, 1939 | DH |
10.835 | 283.1 | crystaline, I | liquid | Railing, 1939 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.78 | 249.54 | crystaline, II | crystaline, I | Pitzer, 1940 | DH |
38.67 | 283.0 | crystaline, I | liquid | Pitzer, 1940 | DH |
7.5 | 250.6 | crystaline, II | crystaline, I | Railing, 1939 | DH |
38.3 | 283.1 | crystaline, I | liquid | Railing, 1939 | DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
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 ± 0.04 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.37 | PI | Berman, Anicich, et al., 1979 | LLK |
10.42 | PE | Berman, Anicich, et al., 1979 | LLK |
10.2 | PE | Gan, Peel, et al., 1978 | LLK |
10.38 | PE | Gan, Peel, et al., 1978 | LLK |
10.37 | PI | Staley, Wieting, et al., 1977 | LLK |
10.58 ± 0.10 | PE | Gan, Peel, et al., 1978 | Vertical value; LLK |
10.44 ± 0.10 | PE | Gan, Peel, et al., 1978 | Vertical value; LLK |
10.57 ± 0.02 | PE | Chau and McDowell, 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2Br+ | 12.34 | CH2Br | EI | Holmes, Lossing, et al., 1988 | LL |
C2H4Br+ | 10.53 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
C2H4Br+ | 10.53 | Br | PI | Staley, Wieting, et al., 1977 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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, 1990. |
NIST MS number | 118846 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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.
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]
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
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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