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
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 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° | 1552. ± 8.8 | kJ/mol | G+TS | Blanksby, Ramond, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1523. ± 8.4 | kJ/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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.