Methanone, dicyclopropyl-

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Phase change 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 by: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil434.2KN/AWeast and Grasselli, 1989 

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 by: John E. Bartmess

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Individual Reactions

C7H9O- + Hydrogen cation = Methanone, dicyclopropyl-

By formula: C7H9O- + H+ = C7H10O

Quantity Value Units Method Reference Comment
Δr1569. ± 17.kJ/molG+TSBrickhouse and Squires, 1988gas phase; Between EtOH, EtOAc
Quantity Value Units Method Reference Comment
Δr1540. ± 17.kJ/molIMRBBrickhouse and Squires, 1988gas phase; Between EtOH, EtOAc

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)880.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity850.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.1PEKelder, Cerfontain, et al., 1974LLK
9.28PEKelder, Cerfontain, et al., 1974Vertical value; LLK

De-protonation reactions

C7H9O- + Hydrogen cation = Methanone, dicyclopropyl-

By formula: C7H9O- + H+ = C7H10O

Quantity Value Units Method Reference Comment
Δr1569. ± 17.kJ/molG+TSBrickhouse and Squires, 1988gas phase; Between EtOH, EtOAc; B
Quantity Value Units Method Reference Comment
Δr1540. ± 17.kJ/molIMRBBrickhouse and Squires, 1988gas phase; Between EtOH, EtOAc; 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

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]

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]


Notes

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