Methaneperoxoic acid
- Formula: CH2O3
- Molecular weight: 62.0248
- IUPAC Standard InChI: InChI=1S/CH2O3/c2-1-4-3/h1,3H
- IUPAC Standard InChIKey: SCKXCAADGDQQCS-UHFFFAOYSA-N
- CAS Registry Number: 107-32-4
- 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: HC(O)OOH
- 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:
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 by: John E. Bartmess
De-protonation reactions
CHO3- + =
By formula: CHO3- + H+ = CH2O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 350.6 ± 3.4 | kcal/mol | G+TS | Villano, Eyet, et al., 2010 | gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid |
| ΔrH° | <370.6 ± 2.2 | kcal/mol | G+TS | Bowie, DePuy, et al., 1986 | gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 344.0 ± 3.3 | kcal/mol | IMRB | Villano, Eyet, et al., 2010 | gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid |
| ΔrG° | <364.0 ± 2.0 | kcal/mol | IMRB | Bowie, DePuy, et al., 1986 | gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m |
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.
Villano, Eyet, et al., 2010
Villano, S.M.; Eyet, N.; Wren, S.W.; Ellison, G.B.; Bierbaum, V.M.; Lineberger, W.C.,
Photoelectron Spectroscopy and Thermochemistry of the Peroxyformate Anion,
J. Phys. Chem. A, 2010, 114, 1, 191-200, https://doi.org/10.1021/jp907569w
. [all data]
Bowie, DePuy, et al., 1986
Bowie, J.H.; DePuy, C.H.; Sullivan, S.A.; Berbaum, V.M.,
Gas phase reactions of the hydroperoxide and peroxyformate anions,
Can. J. Chem., 1986, 64, 1046. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
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.