Propane, 1-bromo-2-methyl-
- Formula: C4H9Br
- Molecular weight: 137.018
- IUPAC Standard InChIKey: HLVFKOKELQSXIQ-UHFFFAOYSA-N
- CAS Registry Number: 78-77-3
- 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: Isobutyl bromide; 1-Bromo-2-methylpropane; iso-C4H9Br; i-Butyl bromide; UN 2342
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Phase change data
Go To: Top, Gas Chromatography, References, Notes
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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 364.3 ± 0.9 | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 155.75 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 155. | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 155.8 | K | N/A | Timmermans, 1934 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 155.15 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 155.1 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 567.2 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 34.9 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 34.9 ± 0.1 | kJ/mol | C | Wadsö, Luoma, et al., 1968 | AC |
ΔvapH° | 34.90 ± 0.02 | kJ/mol | C | Wadso, 1968 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.33 | 364.3 | N/A | Majer and Svoboda, 1985 | |
34.1 | 320. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 305. to 363. K. See also Svoboda, Majer, et al., 1977.; AC |
34. | 296. | A | Stephenson and Malanowski, 1987 | Based on data from 281. to 404. K. See also Dykyj, 1971.; AC |
33.1 ± 0.1 | 330. | C | Svoboda, Majer, et al., 1977 | AC |
32.6 ± 0.1 | 341. | C | Svoboda, Majer, et al., 1977 | AC |
32.0 ± 0.1 | 353. | C | Svoboda, Majer, et al., 1977 | AC |
31.4 ± 0.1 | 366. | C | Svoboda, Majer, et al., 1977 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 366. | 48.78 | 0.265 | 567.2 | Majer and Svoboda, 1985 |
Gas Chromatography
Go To: Top, Phase change data, 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 |
---|---|---|---|---|---|
Packed | Squalane | 27. | 666. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 671. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 676. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 680. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 65. | 674. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.2 m |
Packed | Squalane | 78. | 677. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.2 m |
Packed | Squalane | 100. | 680. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.5 m |
Packed | Squalane | 65. | 672. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.5 m |
Packed | Squalane | 78. | 675. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.5 m |
Packed | Squalane | 100. | 681. | Adlard, Evans, et al., 1965 | N2, Celite; Column length: 1.8 m |
Packed | Squalane | 65. | 673. | Adlard, Evans, et al., 1965 | N2, Celite; Column length: 1.8 m |
Packed | Squalane | 78. | 676. | Adlard, Evans, et al., 1965 | N2, Celite; Column length: 1.8 m |
Packed | Squalane | 100. | 679. | Adlard, Evans, et al., 1965 | Mixture, Celite; Column length: 1.5 m |
Packed | Squalane | 65. | 673. | Adlard, Evans, et al., 1965 | Mixture, Celite; Column length: 1.5 m |
Packed | Squalane | 78. | 676. | Adlard, Evans, et al., 1965 | Mixture, Celite; Column length: 1.5 m |
Packed | Squalane | 100. | 686. | Adlard, Evans, et al., 1965 | He, Celite; Column length: 0.9 m |
Packed | Squalane | 65. | 677. | Adlard, Evans, et al., 1965 | He, Celite; Column length: 0.9 m |
Packed | Squalane | 78. | 679. | Adlard, Evans, et al., 1965 | He, Celite; Column length: 0.9 m |
Packed | Squalane | 100. | 682. | Adlard, Evans, et al., 1965 | |
Packed | Squalane | 65. | 674. | Adlard, Evans, et al., 1965 | |
Packed | Squalane | 78. | 677. | Adlard, Evans, et al., 1965 | |
Packed | Apiezon L | 130. | 711. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 699. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 677. | Zenkevich and Marinichev, 2001 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Timmermans, 1935
Timmermans, J.,
Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds.,
Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]
Timmermans, 1934
Timmermans, J.,
Theory of Concentrated Solutions XII.,
Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]
Timmermans, 1921
Timmermans, J.,
The Freezing Points of Organic Substances IV. New Exp. Determinations,
Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Wadsö, Luoma, et al., 1968
Wadsö, Ingemar; Luoma, Sinikka; Olson, Thomas; Norin, Torbjörn,
Heats of Vaporization of Organic Compounds. II. Chlorides, Bromides, and Iodides.,
Acta Chem. Scand., 1968, 22, 2438-2444, https://doi.org/10.3891/acta.chem.scand.22-2438
. [all data]
Wadso, 1968
Wadso, I.,
Heats of vaporization of organic compounds II. Chlorides, bromides, and iodides,
Acta Chem. Scand., 1968, 22, 2438. [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]
Svoboda, Majer, et al., 1977
Svoboda, V.; Majer, V.; Veselý, F.; Pick, J.,
Heats of vaporization of alkyl bromides,
Collect. Czech. Chem. Commun., 1977, 42, 6, 1755-1760, https://doi.org/10.1135/cccc19771755
. [all data]
Dykyj, 1971
Dykyj, J.,
Petrochemia, 1971, 11, 2, 27. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203
. [all data]
Adlard, Evans, et al., 1965
Adlard, E.R.; Evans, M.B.; Butlin, A.G.; Evans, R.S.; Hill, R.; Huber, J.F.K.; Littlewood, A.B.; McCambley, W.G.; Smith, J.F.; Swanton, W.T.; Swoboda, P.A.T.,
Recommendations of the data sub-committee for the publication of retention data,
J. Gas Chromatogr., 1965, 3, 9, 298-302, https://doi.org/10.1093/chromsci/3.9.298
. [all data]
von Kováts, 1958
von Kováts, E.,
206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone,
Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703
. [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
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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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