Benzenemethanol, 4-nitro-


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)193.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity185.9kcal/molN/AHunter and Lias, 1998HL

De-protonation reactions

C7H6NO3- + Hydrogen cation = Benzenemethanol, 4-nitro-

By formula: C7H6NO3- + H+ = C7H7NO3

Quantity Value Units Method Reference Comment
Δr356.9 ± 2.1kcal/molG+TSMustanir, Than, et al., 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr350.3 ± 2.0kcal/molIMREMustanir, Than, et al., 2005gas 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]

Mustanir, Than, et al., 2005
Mustanir; Than, S.; Mishima, M., Substituent effects on the gas phase acidity of phenylacetylenes and benzyl alcohols, Bull. Chem. Soc. Japan, 2005, 78, 1, 147-153, https://doi.org/10.1246/bcsj.78.147 . [all data]


Notes

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