Ethene, 1,2-dibromo-, (E)-
- Formula: C2H2Br2
- Molecular weight: 185.845
- IUPAC Standard InChIKey: UWTUEMKLYAGTNQ-OWOJBTEDSA-N
- CAS Registry Number: 590-12-5
- 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. - Stereoisomers:
- Other names: (E)-1,2-Dibromoethylene; trans-1,2-Dibromoethene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.41 | 310. | A | Stephenson and Malanowski, 1987 | Based on data from 277. to 344. K. See also Dykyj, 1970.; AC |
10.3 | 292. | N/A | Noyes, Noyes, et al., 1950 | Based on data from 277. to 343. K. See also Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
276.99 to 343.6 | 2.13362 | 557.045 | -137.479 | Noyes, Noyes, et al., 1950 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
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 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 |
---|---|---|---|
9.47 ± 0.01 | S | Wittel, Felps, et al., 1976 | LLK |
9.55 ± 0.01 | S | Schander and Russell, 1976 | LLK |
9.30 ± 0.02 | PE | Chadwick, Frost, et al., 1972 | LLK |
9.46 ± 0.02 | PI | Momigny, 1960 | RDSH |
9.47 | PI | Bralsford, Harris, et al., 1960 | RDSH |
9.55 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
9.56 | PE | Bock and Wittel, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H2Br+ | 11.65 ± 0.05 | Br | EI | Momigny, 1961 | RDSH |
References
Go To: Top, Phase change 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.
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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [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]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Wittel, Felps, et al., 1976
Wittel, K.; Felps, W.S.; Klasinc, L.; McGlynn, S.P.,
Molecular Rydberg transitions. VI. trans-dibromoethylene. The relation between vacuum ultraviolet and photoelectron spectroscopy,
J. Chem. Phys., 1976, 65, 3698. [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]
Bock and Wittel, 1972
Bock, H.; Wittel, K.,
Photoelectron spectra and molecular properties of trans-dihalogenoethylenes: substituent effects spin-orbit coupling,
J. Chem. Soc., Chem. Commun., 1972, 602. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.