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Isoprene

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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
RCD - Robert C. Dunbar

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Individual Reactions

C5H7- + Hydrogen cation = Isoprene

By formula: C5H7- + H+ = C5H8

Quantity Value Units Method Reference Comment
Deltar1613. ± 21.kJ/molG+TSBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH. Acid: isoprene; B
Quantity Value Units Method Reference Comment
Deltar1586. ± 21.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH. Acid: isoprene; B

3-Methyl-4-cyclohexene-1,1,2,2-tetracarbonitrile = Tetracyanoethylene + Isoprene

By formula: C11H8N4 = C6N4 + C5H8

Quantity Value Units Method Reference Comment
Deltar157. ± 3.kJ/molCmRogers, 1971solid phase; Heat of formation derived by 77PED/RYL; ALS

Tetracyanoethylene + Isoprene = 3-Methyl-4-cyclohexene-1,1,2,2-tetracarbonitrile

By formula: C6N4 + C5H8 = C11H8N4

Quantity Value Units Method Reference Comment
Deltar-157. ± 3.kJ/molCmRogers, 1971liquid phase; solvent: Dichloromethane; ALS

Silver ion (1+) + Isoprene = (Silver ion (1+) bullet Isoprene)

By formula: Ag+ + C5H8 = (Ag+ bullet C5H8)

Quantity Value Units Method Reference Comment
Deltar164. ± 19.kJ/molRAKHo, Yang, et al., 1997RCD

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.

Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr., The Gas Phase Acidity Scale in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]

Rogers, 1971
Rogers, F.E., Thermochemistry of the Diels-Alder reaction. I. Enthalpy of addition of isoprene to tetracyanoethylene, J. Phys. Chem., 1971, 75, 1734-1737. [all data]

Ho, Yang, et al., 1997
Ho, Y.-P.; Yang, Y.-C.; Klippenstein, S.J.; Dunbar, R.C., Binding Energies of Ag+ and Cd+ Complexes from Analysis of Radiative Association Kinetics, J. Phys. Chem. A, 1997, 101, 18, 3338, https://doi.org/10.1021/jp9637284 . [all data]


Notes

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