Hydroperoxide, hexyl
- Formula: C6H14O2
- Molecular weight: 118.1742
- IUPAC Standard InChI: InChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3
- IUPAC Standard InChIKey: RZICEOJUAFHYFO-UHFFFAOYSA-N
- CAS Registry Number: 4312-76-9
- 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: Hexyl hydroperoxide; n-C6H13OOH; 1-Hydroperoxyhexane
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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 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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.47 ± 0.03 | PE | Ashmore and Burgess, 1977 | LLK |
| 9.85 | PE | Ashmore and Burgess, 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H13+ | 10.4 ± 0.1 | ? | EI | Burgess, SenSharma, et al., 1968 | RDSH |
| C6H13O+ | 10.2 ± 0.1 | OH | EI | Burgess, SenSharma, et al., 1968 | RDSH |
| C6H13O2+ | 10.8 ± 0.1 | H | EI | Burgess, SenSharma, et al., 1968 | RDSH |
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.
Ashmore and Burgess, 1977
Ashmore, F.S.; Burgess, A.R.,
Study of Some Medium Size Alcohols and Hydroperoxides by Photoelectron Spectroscopy,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1247. [all data]
Burgess, SenSharma, et al., 1968
Burgess, A.R.; SenSharma, D.K.; White, M.J.D.,
The mass spectrometry of some alkyl peroxy radicals and related alkyl hydroperoxides,
Advan. Mass Spectrom., 1968, 4, 345. [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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