4-N,N-Dimethylaminoacetophenone
- Formula: C10H13NO
- Molecular weight: 163.2163
- IUPAC Standard InChIKey: HUDYANRNMZDQGA-UHFFFAOYSA-N
- CAS Registry Number: 2124-31-4
- 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: p-Dimethylaminoacetophenone; p-N,N-Dimethylaminoacetophenone; Acetophenone, 4'-(dimethylamino)-; Ethanone, 1-(4-(dimethylamino)phenyl)-; 4-Dimethylaminoacetophenone; 4'-(Dimethylamino)acetophenone
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 222.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 216.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.69 | PE | Distefano, Granozzi, et al., 1987 | Vertical value; LBLHLM |
7.55 | PE | Gal, Geribaldi, et al., 1985 | Vertical value; LBLHLM |
7.57 ± 0.05 | PE | McAlduff, 1980 | Vertical value; LLK |
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]
Distefano, Granozzi, et al., 1987
Distefano, G.; Granozzi, G.; Olivato, P.R.; Guerrero, S.A.,
Hyperconjugative interactions in halogen-substituted carbonyls: Ultraviolet photoelectron spectroscopy of w-halogenoacetophenones,
J. Chem. Soc. Perkin Trans. 2, 1987, 1459. [all data]
Gal, Geribaldi, et al., 1985
Gal, J.-F.; Geribaldi, S.; Pfister-Guillouzo, G.; Morris, D.G.,
Basicity of the carbonyl group. Part 12. Correlations between ionization potentials and lewis basicities in aromatic carbonyl compounds,
J. Chem. Soc. Perkin Trans. 2, 1985, 103. [all data]
McAlduff, 1980
McAlduff, E.J.,
Photoelectron spectra of substituted acetophenones. Correlations with reactivity,
Can. J. Chem., 1980, 58, 622. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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