Ethanone, 1-cyclopropyl-
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChIKey: HVCFCNAITDHQFX-UHFFFAOYSA-N
- CAS Registry Number: 765-43-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ketone, cyclopropyl methyl; Acetylcyclopropane; Cyclopropyl methyl ketone; Methyl cyclopropyl ketone; 1-Cyclopropylethanone; NSC 1940
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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) | 854.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 823. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.46 | PE | Al-Khafaji and Shanshal, 1977 | Vertical value; LLK |
9.50 | PE | Kelder, Cerfontain, et al., 1974 | Vertical value; LLK |
De-protonation reactions
C5H7O- + =
By formula: C5H7O- + H+ = C5H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1530. ± 17. | kJ/mol | G+TS | Brickhouse and Squires, 1988 | gas phase; Between MeCHO, Me2C=NOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1502. ± 17. | kJ/mol | IMRB | Brickhouse and Squires, 1988 | gas 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
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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