ethyl hydroperoxide
- Formula: C2H6O2
- Molecular weight: 62.0678
- IUPAC Standard InChI: InChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3
- IUPAC Standard InChIKey: ILHIHKRJJMKBEE-UHFFFAOYSA-N
- CAS Registry Number: 3031-74-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C2H6O2+ (ion structure unspecified)
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH3O2+ | 11.4 | CH3 | EI | Holmes, Mommers, et al., 1985 | LBLHLM |
De-protonation reactions
C2H5O2- + =
By formula: C2H5O2- + H+ = C2H6O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 370.9 ± 2.1 | kcal/mol | G+TS | Blanksby, Ramond, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 363.9 ± 2.0 | kcal/mol | IMRE | Blanksby, Ramond, et al., 2001 | gas phase; B |
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.
Holmes, Mommers, et al., 1985
Holmes, J.; Mommers, A.; DeKoster, C.; Heerma, W.; Terlouw, J.,
Four isomeric [C,H3,O2] ions,
Chem. Phys. Lett., 1985, 115, 437. [all data]
Blanksby, Ramond, et al., 2001
Blanksby, S.J.; Ramond, T.M.; Davico, G.E.; Nimlos, M.R.; Kato, S.; Bierbaum, V.M.; Lineberger, W.C.; Ellison,
Negative-ion photoelectron spectroscopy, gas-phase acidity, and thermochemistry of the peroxyl radicals CH3OO and CH3CH2OO,
J. Am. Chem. Soc., 2001, 123, 39, 9585-9596, https://doi.org/10.1021/ja010942j
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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