3-Octanone
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChI: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
- IUPAC Standard InChIKey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
- CAS Registry Number: 106-68-3
- 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: n-Octanone-3; Amyl ethyl ketone; Ethyl amyl ketone; Ethyl n-amyl ketone; Ethyl pentyl ketone; EAK; Octan-3-one; Ethyl n-pentyl ketone; 3-Oxooctane; NSC 60161; 3-octanonere
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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 compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H5O+ | 12.0 ± 0.3 | C5H11 | EI | Yeo and Williams, 1969 | |
| C4H8O+ | 10.5 ± 0.3 | ? | EI | Yeo and Williams, 1969 | |
| C4H9O+ | 9.8 ± 0.3 | ? | EI | Yeo and Williams, 1969 | |
| C5H9O+ | 10.9 ± 0.3 | ? | EI | Yeo and Williams, 1969 | |
| C5H10O+ | 10.4 ± 0.3 | C3H6 | EI | Yeo and Williams, 1969 | |
| C5H11+ | 11.5 ± 0.3 | ? | EI | Yeo and Williams, 1969 | |
| C6H11O+ | 10.2 ± 0.3 | C2H5 | EI | Yeo and Williams, 1969 |
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.
Yeo and Williams, 1969
Yeo, A.N.H.; Williams, D.H.,
Internal hydrogen rearrangement as a function of ion lifetime in the mass spectra of aliphatic ketones,
J. Am. Chem. Soc., 1969, 91, 3582. [all data]
Notes
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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