Hydroperoxide, 1-methylbutyl
- Formula: C5H12O2
- Molecular weight: 104.1476
- IUPAC Standard InChI: InChI=1S/C5H12O2/c1-3-4-5(2)7-6/h5-6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: XRIRVAYMWUMXBR-UHFFFAOYSA-N
- CAS Registry Number: 14018-58-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 2-Hydroperoxypentane; n-C3H7CH(CH3)OOH
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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 |
|---|---|---|---|
| 9.35 ± 0.03 | PE | Ashmore and Burgess, 1977 | LLK |
| 10.05 | PE | Ashmore and Burgess, 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H11+ | 10.7 ± 0.1 | ? | EI | Burgess, SenSharma, et al., 1968 | RDSH |
| C5H11O+ | 10.4 ± 0.1 | OH | EI | Burgess, SenSharma, et al., 1968 | RDSH |
| C5H11O2+ | 10.1 ± 0.1 | H | EI | Burgess, SenSharma, et al., 1968 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 28547 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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