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1,3-Cyclohexanedione, 5,5-dimethyl-

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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 compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.28 ± 0.05PEHouk, Davis, et al., 1973LLK

De-protonation reactions

C8H11O2- + Hydrogen cation = 1,3-Cyclohexanedione, 5,5-dimethyl-

By formula: C8H11O2- + H+ = C8H12O2

Quantity Value Units Method Reference Comment
Deltar338.8 ± 2.1kcal/molG+TSCumming and Kebarle, 1978gas phase; Acid: dimedone; B
Quantity Value Units Method Reference Comment
Deltar331.1 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; Acid: dimedone; 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.

Houk, Davis, et al., 1973
Houk, K.N.; Davis, L.P.; Newkome, G.R.; Duke, R.E., Jr.; Nauman, R.V., Photoelectron spectroscopy of cyclic «beta»-diketones their enolone tautomers, J. Am. Chem. Soc., 1973, 95, 8364. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]


Notes

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