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Butane, 1-bromo-

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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
Deltafgas-25.7 ± 0.4kcal/molCcrBjellerup, 1961 

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-35.4kcal/molCmHolm, 1973Grignard Rx; ALS
Deltafliquid-34.36 ± 0.31kcal/molCcrBjellerup, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -34.47 ± 0.31 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-649.26 ± 0.30kcal/molCcrBjellerup, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -649.17 ± 0.30 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid78.160cal/mol*KN/ADeese, 1931Extrapolation below 100 K, 42.84 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
38.77298.15Shehatta, 1993DH
36.09298.Kurbatov, 1948T = 13 to 100°C, mean Cp, two temperatures.; DH
36.379292.3Deese, 1931T = 94 to 293 K. Value is unsmoothed experimental datum.; DH

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 as indicated in comments:
RCD - Robert C. Dunbar
ALS - 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

Sodium ion (1+) + Butane, 1-bromo- = (Sodium ion (1+) bullet Butane, 1-bromo-)

By formula: Na+ + C4H9Br = (Na+ bullet C4H9Br)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
12.2298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Butane, 1-bromo- = Butane, 2-bromo-

By formula: C4H9Br = C4H9Br

Quantity Value Units Method Reference Comment
Deltar-2.4kcal/molEqkAlenin, Rozhnov, et al., 1974liquid phase; Heat of isomerization; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bjellerup, 1961
Bjellerup, L., Heats of combustion and formation of the 1-bromoalkanes from C4 through C8, Acta Chem. Scand., 1961, 15, 231-241. [all data]

Holm, 1973
Holm, T., Thermochemistry of Grignard reagents. Enthalpies of formation of alkylmagnesium bromides and of alkyl bromides, J. Organomet. Chem., 1973, 56, 87-93. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Deese, 1931
Deese, R.F., Jr., Thermal energy studies. IV. Comparison of continuous and discontinuous methods of measuring heat capacities. Heat capacities of some alphatic bromides, J. Am. Chem. Soc., 1931, 53, 3673-3683. [all data]

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Alenin, Rozhnov, et al., 1974
Alenin, V.I.; Rozhnov, A.M.; Nesterova, T.N.; Strizhkov, V.N., Equilibrium in the isomerisation of liquid C3-C4 monobromoalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1702. [all data]


Notes

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