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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Phase change data
Go To: Top, 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 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9. ± 3. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.9857 | 404.7 | N/A | Svoboda, Kubes, et al., 1992 | DH |
8.310 | 404.8 | N/A | Majer and Svoboda, 1985 | |
9.99 | 300. | N/A | Goto, Fujinawa, et al., 1996 | Based on data from 283. to 317. K.; AC |
9.97 ± 0.02 | 308. | C | Svoboda, Kubes, et al., 1992 | AC |
9.97 ± 0.02 | 315. | C | Svoboda, Kubes, et al., 1992 | AC |
9.94 ± 0.02 | 323. | C | Svoboda, Kubes, et al., 1992 | AC |
9.92 ± 0.02 | 330. | C | Svoboda, Kubes, et al., 1992 | AC |
9.89 ± 0.02 | 338. | C | Svoboda, Kubes, et al., 1992 | AC |
9.56 | 331. | A | Stephenson and Malanowski, 1987 | Based on data from 316. to 488. K.; AC |
8.94 | 419. | A | Stephenson and Malanowski, 1987 | Based on data from 404. to 578. K.; AC |
11.9 | 291. | MM,A | Call, 1957 | Based on data from 285. to 298. K.; AC |
9.46 | 340. | N/A | Dreisbach and Shrader, 1949 | Based on data from 325. to 404. K. See also Dreisbach and Martin, 1949.; AC |
7.43 | 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 (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
246. to 404.7 | 7.36343 | 4101.146 | 153.034 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.1 | 239. | N/A | Goto, Fujinawa, et al., 1996 | Based on data from 229. to 248. K.; AC |
11.9 | 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 (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.86 | 249.5 | Domalski and Hearing, 1996 | CAL |
9.240 | 283. |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.46379 | 249.54 | crystaline, II | crystaline, I | Pitzer, 1940, 2 | DH |
2.61580 | 283.0 | crystaline, I | liquid | Pitzer, 1940, 2 | DH |
0.4493 | 250.6 | crystaline, II | crystaline, I | Railing, 1939 | DH |
2.5896 | 283.1 | crystaline, I | liquid | Railing, 1939 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.86 | 249.54 | crystaline, II | crystaline, I | Pitzer, 1940, 2 | DH |
9.242 | 283.0 | crystaline, I | liquid | Pitzer, 1940, 2 | DH |
1.8 | 250.6 | crystaline, II | crystaline, I | Railing, 1939 | DH |
9.15 | 283.1 | crystaline, I | liquid | Railing, 1939 | DH |
Mass spectrum (electron ionization)
Go To: Top, Phase change 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, Phase change 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.
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, 331-5. [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]
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, 331-335. [all data]
Railing, 1939
Railing, W.E.,
The specific heat of some ethylene halides,
J. Am. Chem. Soc., 1939, 61, 3349-3353. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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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