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Ethanone, 1-cyclopropyl-

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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)854.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity823.kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.46PEAl-Khafaji and Shanshal, 1977Vertical value; LLK
9.50PEKelder, Cerfontain, et al., 1974Vertical value; LLK

De-protonation reactions

C5H7O- + Hydrogen cation = Ethanone, 1-cyclopropyl-

By formula: C5H7O- + H+ = C5H8O

Quantity Value Units Method Reference Comment
Deltar1530. ± 17.kJ/molG+TSBrickhouse and Squires, 1988gas phase; Between MeCHO, Me2C=NOH; B
Quantity Value Units Method Reference Comment
Deltar1502. ± 17.kJ/molIMRBBrickhouse and Squires, 1988gas phase; Between MeCHO, Me2C=NOH; B

References

Go To: Top, Gas phase ion energetics data, Notes

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]

Al-Khafaji and Shanshal, 1977
Al-Khafaji, J.A.; Shanshal, M., The photoelectron spectra of cyclopropyl ketones, Z. Naturforsch. A:, 1977, 32, 109. [all data]

Kelder, Cerfontain, et al., 1974
Kelder, J.; Cerfontain, H.; Higginson, B.R.; Lloyd, D.R., Photoelectron and ultraviolet absorption spectra of cyclopropyl conjugated 1,2-diketones, Tetrahedron Lett., 1974, 739. [all data]

Brickhouse and Squires, 1988
Brickhouse, M.D.; Squires, R.R., Gas Phase Bronsted vs. Lewis Acid-Base Reactions of 6,6-Dimethylfulvene. A Sensitive Probe of the Electronic Structures of Organic Anions, J. Am. Chem. Soc., 1988, 110, 9, 2706, https://doi.org/10.1021/ja00217a002 . [all data]


Notes

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