- Formula: C9H14O
- Molecular weight: 138.2069
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: HJOVHMDZYOCNQW-UHFFFAOYSA-N
- CAS Registry Number: 78-59-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2-Cyclohexen-1-one, 3,5,5-trimethyl-; «alpha»-Isophoron; «alpha»-Isophorone; Isoacetophorone; Isoforon; Isophoron; 3,5,5-Trimethyl-2-cyclohexenone; 3,5,5-Trimethylcyclohexen-2-one-1; 3,5,5-Trimethylcyclohex-2-enone; Isoforone; Izoforon; NCI-C55618; 1,1,3-Trimethyl-3-cyclohexene-5-one; 3,5,5-Trimethyl-2-cyclohexen-1-on; 3,5,5-Trimethyl-2-cyclohexen-1-one; 3,5,5-Trimethyl-2-cyclohexene-1-one; 3,5,5-Trimetil-2-cicloesen-1-one; 3,3,5-Trimethyl-2-cyclohexen-1-one; 3,5,5-trimethylcyclohex-2-en-1-one; NSC 403657
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Gas phase ion energetics data
Go To: Top, References, Notes
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C9H14O+ (ion structure unspecified)
|Proton affinity (review)||893.5||kJ/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||861.6||kJ/mol||N/A||Hunter and Lias, 1998||HL|
Ionization energy determinations
|9.07||PE||Pfister-Guillouzo, Geribaldi, et al., 1982||Vertical value; LBLHLM|
Go To: Top, Gas phase ion energetics data, Notes
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]
Pfister-Guillouzo, Geribaldi, et al., 1982
Pfister-Guillouzo, G.; Geribaldi, S.; Gal, J.-F., Spectres photoelectroniques de cyclohexene-2-ones-1 diversement substituees en position 3. Correlations avec la reactivite, Can. J. Chem., 1982, 60, 1163. [all data]
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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