Propane, 2-bromo-2-methyl-

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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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

Bromine anion + Propane, 2-bromo-2-methyl- = (Bromine anion • Propane, 2-bromo-2-methyl-)

By formula: Br- + C4H9Br = (Br- • C4H9Br)

Quantity Value Units Method Reference Comment
Δr65.3 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Δr51.88kJ/molTDAsDougherty, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr80.8J/mol*KHPMSDougherty, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Δr28.0kJ/molTDAsDougherty, 1974gas phase; B

Fluorine anion + Propane, 2-bromo-2-methyl- = (Fluorine anion • Propane, 2-bromo-2-methyl-)

By formula: F- + C4H9Br = (F- • C4H9Br)

Quantity Value Units Method Reference Comment
Δr93.3 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B
Quantity Value Units Method Reference Comment
Δr64.0 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B

Chlorine anion + Propane, 2-bromo-2-methyl- = (Chlorine anion • Propane, 2-bromo-2-methyl-)

By formula: Cl- + C4H9Br = (Cl- • C4H9Br)

Quantity Value Units Method Reference Comment
Δr74.1 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Δr37.2 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

Sodium ion (1+) + Propane, 2-bromo-2-methyl- = (Sodium ion (1+) • Propane, 2-bromo-2-methyl-)

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

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
57.3298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Propane, 2-bromo-2-methyl- = 1-Propene, 2-methyl- + Hydrogen chloride

By formula: C4H9Br = C4H8 + HCl

Quantity Value Units Method Reference Comment
Δr79. ± 4.kJ/molEqkKistiakowsky and Stauffer, 1937gas phase; ALS

Hydrogen bromide + 1-Propene, 2-methyl- = Propane, 2-bromo-2-methyl-

By formula: HBr + C4H8 = C4H9Br

Quantity Value Units Method Reference Comment
Δr-78.868kJ/molEqkHowlett, 1957gas phase; ALS

Propane, 2-bromo-2-methyl- = Propane, 1-bromo-2-methyl-

By formula: C4H9Br = C4H9Br

Quantity Value Units Method Reference Comment
Δr19.0kJ/molEqkNesterova and Rozhnov, 1974gas phase; ALS

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.

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Dougherty, 1974
Dougherty, R.C., SN2 reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [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]

Kistiakowsky and Stauffer, 1937
Kistiakowsky, G.B.; Stauffer, C.H., The kinetics of gaseous addition of halogen acids to isobutene, 1937, 165-170. [all data]

Howlett, 1957
Howlett, K.E., The use of equilibrium constants to calculate thermodynamic quantities. Part III. Equilibria in the system tert.-butyl bromideisobutene-hydrogen bromide, J. Chem. Soc., 1957, 2834-2836. [all data]

Nesterova and Rozhnov, 1974
Nesterova, T.N.; Rozhnov, A.M., Isomerization of isostructural monobromobutanes, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1974, 17, 556-558. [all data]


Notes

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