1H-Pyrazole, 3-methyl-

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Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Proton affinity (review)906.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity874.2kJ/molN/AHunter and Lias, 1998HL

De-protonation reactions

C4H5N2- + Hydrogen cation = 1H-Pyrazole, 3-methyl-

By formula: C4H5N2- + H+ = C4H6N2

Quantity Value Units Method Reference Comment
Δr1490. ± 8.8kJ/molG+TSTaft, 1991gas phase; B
Quantity Value Units Method Reference Comment
Δr1457. ± 8.4kJ/molIMRETaft, 1991gas phase; B

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Taft, 1991
Taft, R.W., , personal communication, Aug, 1991. [all data]


Notes

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