- 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 fileor as a computed3d SD file
The 3d structure may be viewed usingJavaorJavascript. - Isotopologues:
- 1,2-Dibromoethane-d3
- 1,2-Dibromoethane-d2(1,2)
- 1,2-dibromo-[1,1,2,2-2H4]ethane
- 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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- Information on this page:
- Reaction thermochemistry data
- Henry's Law data
- Gas phase ion energetics data
- Mass spectrum (electron ionization)
- References
- Notes
- Other data available:
- Condensed phase thermochemistry data
- Phase change data
- IR Spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Data at other public NIST sites:
- Gas Phase Kinetics Database
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Reaction thermochemistry data
Go To: Top, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyrightby 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
Note: Please consider using thereaction search for this species. This page allows searchingof all reactions involving this species. A general reaction searchform is also available. Future versions of this site may rely onreaction search pages in place of the enumerated reactiondisplays seen below.
Individual Reactions
=
By formula: C2H4Br2 = C2H4Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.05 ± 0.52 | kJ/mol | Eqk | Izmailov, Rozhnov, et al., 1974 | gas phase |
ΔrH° | 12.1 ± 1.3 | kJ/mol | Eqk | Levanova, Rozhnov, et al., 1970 | gas phase; Heat of isomerization at 484 K |
+ =
By formula: C2H4+Br2 = C2H4Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -120.9 ± 1.3 | kJ/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -121.6 ± 1.3 kJ/mol; At 355 °K |
= +
By formula: C2H4Br2 = HBr+C2H3Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 80. ± 2. | kJ/mol | Eqk | Levanova, Rozhnov, et al., 1970 | gas phase |
Henry's Law data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
1.4 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
1.5 | 3900. | X | N/A | |
1.1 | 1900. | X | N/A | |
1.4 | V | N/A |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), References, Notes
Data compilation copyrightby 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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, References, Notes
Data compilation copyrightby 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
View image of digitizedspectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
All mass spectra in this site (plus many more) areavailable from the NIST/EPA/NIH Mass Spectral Library.Please see the following for information about the library and its accompanying search program.
References
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved.
Izmailov, Rozhnov, et al., 1974
Izmailov, V.D.; Rozhnov, A.M.; Sharonov, K.G.,Equilibrium in the isomerisation of 1,1-dibromoethane and 1,1-dibromopropane,Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 289-290. [all data]
Levanova, Rozhnov, et al., 1970
Levanova, S.V.; Rozhnov, A.M.; Sedov, S.M.; Starkov, V.Ya.; Manzohos, V.N.,Equilibrium reactions of dibromoethane,Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1970, 13, 62-65. [all data]
Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,Heats of organic reactions. VII. Addition of halogens to olefins,J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69:NIST Chemistry WebBook
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