1,2-Dibromopentane
- Formula: C5H10Br2
- Molecular weight: 229.941
- IUPAC Standard InChI: InChI=1S/C5H10Br2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
- IUPAC Standard InChIKey: CITMYAPULDSOHG-UHFFFAOYSA-N
- CAS Registry Number: 3234-49-9
- 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: Pentane, 1,2-dibromo-
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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 | -164.8 | kJ/mol | Eqk | Rozhnov, Alenin, et al., 1974 |
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:
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 49. | kJ/mol | N/A | Pisarev, Rozhnov, et al., 1975 | Based on data from 350. - 450. K. See also Basarová and Svoboda, 1991.; AC |
| ΔvapH° | 49.2 ± 0.8 | kJ/mol | EB | Pisarev, Rozhnov, et al., 1975 | AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 46.5 | 363. | A | Stephenson and Malanowski, 1987 | Based on data from 348. - 465. K.; AC |
| 48.8 | 307. | A | Stephenson and Malanowski, 1987 | Based on data from 292. - 448. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 292.9 - 448. | 4.63914 | 1875.567 | -43.328 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
By formula: C5H10Br2 = C5H10Br2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.9 ± 0.4 | kJ/mol | Eqk | Rozhnov, Nesterova, et al., 1974 | liquid phase; Heat of 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 115. | 1033. | Lafosse and Thuaud-Chourrout, 1975 | Column length: 100. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Apiezon L | 130. | 1056. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-PONA | 1033. | Liu and Yang, 2003 | 50. m/0.20 mm/0.50 μm, 35. C @ 8. min, 3.5 K/min, 230. C @ 10. min |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rozhnov, Alenin, et al., 1974
Rozhnov, A.M.; Alenin, V.I.; Nesterova, T.N.,
Equilibrium in the isomerisation of dibromoalkanes. IV. Isomerisation of dibromohexanes and heats of formation of certain C5-C10 dibromoalkanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1701-1702. [all data]
Pisarev, Rozhnov, et al., 1975
Pisarev, V.V.; Rozhnov, A.M.; Varushchenko, R.M.; Sarkisov, A.G.,
Russ. J. Phys. Chem., 1975, 49, 1450. [all data]
Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav,
Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data,
Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I
. [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]
Rozhnov, Nesterova, et al., 1974
Rozhnov, A.M.; Nesterova, T.N.; Alenin, V.I.; Uskova, L.A.,
Equilibria in the isomerisation of dibromoalkanes. I. Isomerisation of 1,2-, 1,3-, 1,4-, and 1,5-dibromopentanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1268, In original 2136. [all data]
Lafosse and Thuaud-Chourrout, 1975
Lafosse, M.; Thuaud-Chourrout, N.,
Etude du comportement de composés halogénés et mèthoxylés en CG dans le cas de quatre phases stationnaires liquides pouvant former des liaisons de type donneur-accepteur d'électrons avec les groupes fonctionnels de ces composés,
Chromatographia, 1975, 8, 4, 195-202, https://doi.org/10.1007/BF02274456
. [all data]
Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F.,
Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds,
J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121
. [all data]
Liu and Yang, 2003
Liu, Y.; Yang, H.,
Detailed alkene determination by bromination and gas chromatography with atomic emission detection. I. identification of the bromoalkenes/bromoalkanes in brominated gasoline,
Se Pu - Chinese Journal of Chromatography, 2003, 21, 1, 1-8. [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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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