1,4:5,8-Dimethanonaphthalen-9-one, (1α,4α,4aα,5β,8β,8aα)-
- Formula: C12H16O
- Molecular weight: 176.2548
- IUPAC Standard InChI: InChI=1S/C12H16O/c13-12-8-3-4-9(12)11-7-2-1-6(5-7)10(8)11/h6-11H,1-5H2
- IUPAC Standard InChIKey: BXCXSNWNIVXFED-UHFFFAOYSA-N
- CAS Registry Number: 36197-31-6
- 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: 1,4:5,8-Dimethanonaphthalen-9-one, (1α,4α,4aα,5β,8β,8aα)-
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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 compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.5 | PE | Paddon-Row, Patney, et al., 1982 | |
| 8.78 | PE | Paddon-Row, Patney, et al., 1982 | Vertical value |
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.
Paddon-Row, Patney, et al., 1982
Paddon-Row, M.N.; Patney, H.K.; Brown, R.S.,
Orbital interactions. XI. Application of photoelectron spectroscopy to the study of orbital interactions in some 2- and 9-substituted octahydrodimethanonaphthalenes,
Aust. J. Chem., 1982, 35, 293. [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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