erythro-2,3-Dibromobutane
- Formula: C4H8Br2
- Molecular weight: 215.914
- IUPAC Standard InChIKey: BXXWFOGWXLJPPA-ZXZARUISSA-N
- CAS Registry Number: 5780-13-2
- 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. - Stereoisomers:
- Other names: Butane, 2,3-dibromo-, erythro; meso-2,3-dibromobutane; Threo-2,3-dibromobutane
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Gas phase 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -101.6 | kJ/mol | Eqk | Rozhnov and Nesterova, 1973 | Equilibration with 1,4-Dibromobutane |
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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 430.5 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 430.5 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 0.5 K; source of data not clear; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 46.44 | kJ/mol | E | Rozhnov and Nesterova, 1973 | Equilibration with 1,4-Dibromobutane; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
41.7 | 289. | A | Stephenson and Malanowski, 1987 | Based on data from 274. to 431. K. See also Stull, 1947.; AC |
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
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.16 | PE | Gounelle, Menard, et al., 1975 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, 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.
Rozhnov and Nesterova, 1973
Rozhnov, A.M.; Nesterova, T.N.,
Heats of formation of dibromo-n-butanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1390, In original 2455. [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]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [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]
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]
Gounelle, Menard, et al., 1975
Gounelle, Y.; Menard, C.; Pechine, J.M.; Solgadi, D.; Menes, F.; Botter, R.,
Conformational effects on ionization potentials; Photoelectron spectra of dibromo- and bromofluoro- alkyl compounds,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 247. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions 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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