Ethene, 1,2-dibromo-, (Z)-
- Formula: C2H2Br2
- Molecular weight: 185.845
- IUPAC Standard InChIKey: UWTUEMKLYAGTNQ-UPHRSURJSA-N
- CAS Registry Number: 590-11-4
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: (Z)-1,2-Dibromoethylene
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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:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.70 | 314. | A | Stephenson and Malanowski, 1987 | Based on data from 299. to 351. K. See also Noyes, Noyes, et al., 1950 and Dykyj, 1970.; 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 |
---|---|---|---|---|---|
299.39 to 350.79 | 4.697 | 1655.723 | -35.019 | Noyes, Noyes, et al., 1950 | Coefficents calculated by NIST from author's data. |
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
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Individual Reactions
By formula: C2H2Br2 = C2H2Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.25 ± 0.33 | kcal/mol | Eqk | Craig, Piper, et al., 1971 | gas phase |
ΔrH° | 0.10 ± 0.16 | kcal/mol | Kin | Dowling, Puranik, et al., 1957 | gas 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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.63 ± 0.01 | S | Schander and Russell, 1976 | LLK |
9.32 ± 0.02 | PE | Chadwick, Frost, et al., 1972 | LLK |
9.45 ± 0.02 | PI | Momigny, 1960 | RDSH |
9.45 | PI | Bralsford, Harris, et al., 1960 | RDSH |
9.63 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H2Br+ | 11.44 ± 0.05 | Br | EI | Momigny, 1961 | RDSH |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-1 | 100. | 766. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 774. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 758. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SP-1000 | 100. | 1266.33 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 1274.7 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 1252.54 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Noyes, Noyes, et al., 1950
Noyes, Richard M.; Noyes, Winninette A.; Steinmetz, Hyman,
Vapor Pressures of cis and trans Disubstituted Ethylenes,
J. Am. Chem. Soc., 1950, 72, 1, 33-34, https://doi.org/10.1021/ja01157a008
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Craig, Piper, et al., 1971
Craig, N.C.; Piper, L.G.; Wheeler, V.L.,
Thermodynamics of cis-trans isomerizations. II. The 1-chloro-2-fluoroethylenes, 1,2-difluorocyclopropanes, and related molecules,
J. Phys. Chem., 1971, 75, 1453-1460. [all data]
Dowling, Puranik, et al., 1957
Dowling, J.M.; Puranik, P.G.; Meister, A.G.,
Vibrational spectra, potential constants, and calculated thermodynamic properties of cis- and trans-BrHC=CHBr, and cis- and trans-BrDC=CDBr,
J. Chem. Phys., 1957, 26, 233-240. [all data]
Schander and Russell, 1976
Schander, J.; Russell, B.R.,
Vacuum ultraviolet spectra of bromoethylene and dibromoethylenes,
J. Am. Chem. Soc., 1976, 98, 6900. [all data]
Chadwick, Frost, et al., 1972
Chadwick, D.; Frost, D.C.; Katrib, A.; McDowell, C.A.; McLean, R.A.N.,
Photoelectron spectra of some bromoethylenes and 2-bromopropene,
Can. J. Chem., 1972, 50, 2642. [all data]
Momigny, 1960
Momigny, J.,
Les potentials d'ionisation des dihalogenoethylenes cis et trans,
Bull. Classe Sci. Acad. Roy. Belg., 1960, 46, 686. [all data]
Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C.,
The effect of fluorine on the electronic spectra and ionization potentials of molecules,
Proc. Roy. Soc. (London), 1960, A258, 459. [all data]
Wittel and Bock, 1974
Wittel, K.; Bock, H.,
Photoelektronenspekten und molekuleigenschaften. XXVII. Chlor- und bromathylene- beispiele fur anderungen in π- und σ-Systemen,
Chem. Ber., 1974, 107, 317. [all data]
Momigny, 1961
Momigny, J.,
Comportement des dihalogenoethylenes cis et trans sous l'impact electronique,
Bull. Soc. Chim. Belges, 1961, 70, 241. [all data]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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