Methylcyclopropane

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid0.41 ± 0.16kcal/molCcbGood, 1971 
Quantity Value Units Method Reference Comment
Δcliquid-649.87 ± 0.14kcal/molCcbGood, 1971Corresponding Δfliquid = 0.41 kcal/mol (simple calculation by NIST; no Washburn corrections)

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 by: John E. Bartmess

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

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr409.2 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr413.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase
Quantity Value Units Method Reference Comment
Δr401.5 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr410.5 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Quantity Value Units Method Reference Comment
Δr402.1 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr411.0 ± 5.0kcal/molCIDTGraul and Squires, 1990gas phase
Quantity Value Units Method Reference Comment
Δr403.2 ± 5.1kcal/molH-TSGraul and Squires, 1990gas phase

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.

Good, 1971
Good, W.D., The enthalpies of combustion and formation of some alkyl cyclopropanes, J. Chem. Thermodyn., 1971, 3, 539-546. [all data]

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]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]


Notes

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