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Isobutane

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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
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

C4H9- + Hydrogen cation = Isobutane

By formula: C4H9- + H+ = C4H10

Quantity Value Units Method Reference Comment
Deltar412.9 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Deltar414.7 ± 4.8kcal/molBranPeerboom, Rademaker, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar404.3 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B
Deltar406.1 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B

C4H9- + Hydrogen cation = Isobutane

By formula: C4H9- + H+ = C4H10

Quantity Value Units Method Reference Comment
Deltar413.1 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Deltar414.0 ± 2.0kcal/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
Deltar405.7 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B

1-Propene, 2-methyl- + Hydrogen = Isobutane

By formula: C4H8 + H2 = C4H10

Quantity Value Units Method Reference Comment
Deltar-28.15 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -28.39 ± 0.18 kcal/mol; At 355 °K; ALS

Butane = Isobutane

By formula: C4H10 = C4H10

Quantity Value Units Method Reference Comment
Deltar-2.318kcal/molEqkPines, Kvetinskas, et al., 1945gas phase; Heat of isomerization; ALS

References

Go To: Top, Reaction thermochemistry data, Notes

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

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608 . [all data]

DePuy, Bierbaum, et al., 1984
DePuy, C.H.; Bierbaum, V.M.; Damrauer, R., Relative Gas-Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1984, 106, 4051. [all data]

Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons, J. Am. Chem. Soc., 1935, 57, 876-882. [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]

Pines, Kvetinskas, et al., 1945
Pines, H.; Kvetinskas, B.; Kassel, L.S.; Ipatieff, V.N., Determination of equilibrium constants for butanes and pentanes, J. Am. Chem. Soc., 1945, 67, 631-637. [all data]


Notes

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