Butane, 1,2-dibromo-
- Formula: C4H8Br2
- Molecular weight: 215.914
- IUPAC Standard InChI: InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: CZWSZZHGSNZRMW-UHFFFAOYSA-N
- CAS Registry Number: 533-98-2
- 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: α-Butylene dibromide; 1,2-Dibromobutane; α-Butylene bromide
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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 | -22.21 | kcal/mol | Eqk | Rozhnov and Nesterova, 1973 | |
| ΔfH°gas | -24.43 ± 0.58 | kcal/mol | Ccr | Bjellerup, 1961 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1330, AND 10% IN CS2 FOR 1330-430 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, IR Spectrum, References, Notes
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. | 943. | 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. | 960. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-PONA | 944. | Liu and Yang, 2003 | 50. m/0.20 mm/0.50 μm, 35. C @ 8. min, 3.5 K/min, 230. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 946. | 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 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]
Bjellerup, 1961
Bjellerup, L.,
On the accuracy of heat of combustion data obtained with a precision moving-bomb calorimetric method for organic bromine compounds,
Acta Chem. Scand., 1961, 15, 121-140. [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]
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°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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