Propane, 1,3-dibromo-2-methyl-
- Formula: C4H8Br2
- Molecular weight: 215.914
- IUPAC Standard InChI: InChI=1S/C4H8Br2/c1-4(2-5)3-6/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: SMGXHVWYXQYMNN-UHFFFAOYSA-N
- CAS Registry Number: 28148-04-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 1,3-Dibromoisobutane
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Condensed 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°liquid | -33.88 | kcal/mol | Eqk | Rozhnov, Nesterova, et al., 1975 | Gas phase isomerization |
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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.8 | 302. | A | Stephenson and Malanowski, 1987 | Based on data from 287. to 448. K. See also Stull, 1947. |
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: C4H8Br2 = C4H8Br2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.10 ± 0.06 | kcal/mol | Eqk | Rozhnov, Nesterova, et al., 1975 | liquid phase; Gas phase isomerization |
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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 903. | Zenkevich and Marinichev, 2001 | Program: not specified |
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.
Rozhnov, Nesterova, et al., 1975
Rozhnov, A.M.; Nesterova, T.N.; Mukovnina, G.S.,
Equilibrium in the isomerisation of dibromoalkanes. II. Isomerisation of dibromoisobutanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 1675-1676. [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]
Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N.,
Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian),
Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]
Notes
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- Symbols used in this document:
ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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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