- Formula: C8H9NO
- Molecular weight: 135.1632
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: CKQHAYFOPRIUOM-UHFFFAOYSA-N
- CAS Registry Number: 99-03-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Ethanone, 1-(3-aminophenyl)-; Acetophenone, 3'-amino-; «beta»-Aminoacetophenone; m-Acetylaniline; m-Aminoacetophenone; m-Aminoacetylbenzene; 3-Acetylaniline; 1-(3-Aminophenyl)ethanone; 3'-Aminoacetophenone; Acetophenone, m-amino-; 3-Aminoacetofenon; 3-Acetylphenylamine; NSC 7637
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compiled as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
|8.6 ± 0.2||EI||Chin and Harrison, 1969||RDSH|
|8.09 ± 0.05||EI||Pignataro, Foffani, et al., 1966||RDSH|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C7H6NO+||11.0 ± 0.2||CH3||EI||Chin and Harrison, 1969||RDSH|
C8H8NO- + =
By formula: C8H8NO- + H+ = C8H9NO
|rH°||1505. ± 8.8||kJ/mol||G+TS||Taft, 1987||gas phase; value altered from reference due to change in acidity scale; B|
|rG°||1474. ± 8.4||kJ/mol||IMRE||Taft, 1987||gas phase; value altered from reference due to change in acidity scale; B|
Go To: Top, Gas phase ion energetics data, Notes
Chin and Harrison, 1969
Chin, M.S.; Harrison, A.G., Substituent effects on ion abundances and energetics in substituted acetophenones, Org. Mass Spectrom., 1969, 2, 1073. [all data]
Pignataro, Foffani, et al., 1966
Pignataro, S.; Foffani, A.; Innorta, G.; Distefano, G., Molecular structural effects on the ionization potentials for metasubstituted aromatic compounds and for compounds of the type X-CH2-R, Z. Physik. Chem. (Frankfurt), 1966, 49, 291. [all data]
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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