- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
- CAS Registry Number: 95-63-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: «psi»-Cumene; as-Trimethylbenzene; Pseudocumene; Pseudocumol; 1,2,4-Trimethylbenzene; 1,2,5-Trimethylbenzene; 1,3,4-Trimethylbenzene; Psi-cumene; Asymmetrical trimethylbenzene; Benzene, 1,2,5-trimethyl-; NSC 65600; 1,2,4-trimethylbenzene (pseudocumene)
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Gas phase ion energetics data
Go To: Top, References, Notes
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:
L - 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C9H12+ (ion structure unspecified)
|IE (evaluated)||8.27 ± 0.01||eV||N/A||N/A||L|
Ionization energy determinations
|8.27||PE||Howell, Goncalves, et al., 1984||LBLHLM|
|8.27 ± 0.01||PI||Price, Bralsford, et al., 1959||RDSH|
|8.27||PE||Howell, Goncalves, et al., 1984||Vertical value; LBLHLM|
|8.5 ± 0.03||PE||Klessinger, 1972||Vertical value; LLK|
Go To: Top, Gas phase ion energetics data, Notes
Howell, Goncalves, et al., 1984
Howell, J.O.; Goncalves, J.M.; Amatore, C.; Klasinc, L.; Wightman, R.M.; Kochi, J.K., Electron transfer from aromatic hydrocarbons and their «pi»-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentials, J. Am. Chem. Soc., 1984, 106, 3968. [all data]
Price, Bralsford, et al., 1959
Price, W.C.; Bralsford, R.; Harris, P.V.; Ridley, R.G., Ultra-violet spectra and ionization potentials of hydrocarbon molecules, Spectrochim. Acta, 1959, 14, 45. [all data]
Klessinger, M., Ionization potentials of substituted benzenes, Angew. Chem. Int. Ed. Engl., 1972, 11, 525. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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