- Formula: C9H18O
- Molecular weight: 142.2386
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: WSGCRAOTEDLMFQ-UHFFFAOYSA-N
- CAS Registry Number: 502-56-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butyl ketone; Dibutyl ketone; Nonan-5-one; (n-C4H9)2CO; di-n-Butylketone; 5-Oxononane
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- Other data available:
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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:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
|Proton affinity (review)||853.7||kJ/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||821.9||kJ/mol||N/A||Hunter and Lias, 1998||HL|
Ionization energy determinations
|9.07||EI||Holmes, Fingas, et al., 1981||LLK|
|9.71||EI||Potzinger and Bunau, 1969||RDSH|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C4H9+||11.82||?||EI||Potzinger and Bunau, 1969||RDSH|
|C5H9O+||10.86||?||EI||Potzinger and Bunau, 1969||RDSH|
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]
Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]
Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v., Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung, Ber. Bunsen-Ges. Phys. Chem., 1969, 73, 466. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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