Vinyl bromide
- Formula: C2H3Br
- Molecular weight: 106.949
- IUPAC Standard InChIKey: INLLPKCGLOXCIV-UHFFFAOYSA-N
- CAS Registry Number: 593-60-2
- 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. - Other names: Ethene, bromo-; Ethylene, bromo-; Bromoethene; Bromoethylene; C2H3Br; Bromure de vinyle; NCI-C50373; UN 1085; Vinylbromid; Saytex VBR
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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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 289. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 289.0 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 133.61 | K | N/A | Dreisbach, 1955 | Uncertainty assigned by TRC = 0.02 K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
289.2 | 0.987 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.52 | 239. | A | Stephenson and Malanowski, 1987 | Based on data from 224. to 319. K. See also Dykyj, 1970.; AC |
5.93 | 274. | N/A | Guyer, Sch«65533»tze, et al., 1937 | Based on data from 186. to 289. K. See also Boublik, Fried, et al., 1984.; AC |
6.43 | 270. | N/A | Mehl, 1934 | Based on data from 207. to 285. 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)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
185.7 to 289. | 4.36298 | 1219.308 | -9.129 | Guyer, Sch«65533»tze, et al., 1937 | 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.82 ± 0.03 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.90 ± 0.01 | S | Schander and Russell, 1976 | LLK |
9.80 | PE | Lohr, Jochims, et al., 1975 | LLK |
9.83 | PE | Mines and Thompson, 1973 | LLK |
9.80 ± 0.02 | PE | Chadwick, Frost, et al., 1972 | LLK |
9.82 ± 0.02 | PI | Momigny, 1963 | RDSH |
9.80 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.80 | PI | Bralsford, Harris, et al., 1960 | RDSH |
9.9 | PE | Cambi, Ciullo, et al., 1983 | Vertical value; LBLHLM |
9.9 | PE | Von Niessen, Asbrink, et al., 1982 | Vertical value; LBLHLM |
9.87 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
HBr+ | 18.2 ± 0.1 | ? | PI | Lohr, Jochims, et al., 1975 | LLK |
C2H2+ | 12.5 ± 0.2 | HBr | PI | Lohr, Jochims, et al., 1975 | LLK |
C2H3+ | 11.92 | Br | DER | Miller and Baer, 1984 | T = 0K; LBLHLM |
C2H3+ | 11.9 ± 0.1 | Br | PI | Lohr, Jochims, et al., 1975 | LLK |
C2H3+ | 12.01 ± 0.13 | Br | EI | Finney and Harrison, 1972 | LLK |
C2H3+ | 11.9 | Br | EI | Lossing, 1971 | LLK |
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.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Dreisbach, 1955
Dreisbach, R.R.,
Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Guyer, Sch«65533»tze, et al., 1937
Guyer, A.; Sch«65533»tze, H.; Weidenmann, M.,
«65533»ber einige thermische Eigenschaften des Vinylbromids,
Helv. Chim. Acta, 1937, 20, 1, 936-949, https://doi.org/10.1002/hlca.193702001136
. [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]
Mehl, 1934
Mehl, W.,
Z. Phys. Chem. Abt. A, 1934, 164, 312. [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]
Lohr, Jochims, et al., 1975
Lohr, W.; Jochims, H.-W.; Baumgartel, H.,
Photoreaktionen kleiner organischer Molekule IV Absorptionsspektren, Photoionen- und Resonanz- photoelektronenspektren von Vinylbromid,
Ber. Bunsen-Ges. Phys. Chem., 1975, 79, 901. [all data]
Mines and Thompson, 1973
Mines, G.W.; Thompson, H.W.,
Photoelectron spectra of vinyl and allyl halides,
Spectrochim. Acta Part A, 1973, 29, 1377. [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, 1963
Momigny, J.,
Ionization potentials and the structures of the photo-ionization yield curves of ethylene and its halogeno derivatives,
Nature, 1963, 199, 1179. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [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]
Cambi, Ciullo, et al., 1983
Cambi, R.; Ciullo, G.; Sgamellotti, A.; Tarantelli, F.; Fantoni, R.; Giardini-Guidoni, A.; McCarthy, I.E.; di Martino, V.,
An (e,2e) spectroscopic investigation and a Green's Function Study of the ionization of chloro- and bromoethylene,
Chem. Phys. Lett., 1983, 101, 477. [all data]
Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G.,
30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I),
J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [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]
Miller and Baer, 1984
Miller, B.E.; Baer, T.,
Kinetic energy release distribution in the fragmentation of energy-selected vinyl and ethyl bromide ions,
Chem. Phys., 1984, 85, 39. [all data]
Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G.,
A third-derivative method for determining electron-impact onset potentials,
Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]
Lossing, 1971
Lossing, F.P.,
Free radicals by mass spectrometry. XLIII. Ionization potentials and ionic heats of formation for vinyl, allyl, and benzyl radicals,
Can. J. Chem., 1971, 49, 357. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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