Methaneperoxoic acid
- Formula: CH2O3
- Molecular weight: 62.0248
- 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
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
CHO3- + =
By formula: CHO3- + H+ = CH2O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1467. ± 14. | kJ/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° | <1551. ± 9.2 | kJ/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° | 1439. ± 14. | kJ/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° | <1523. ± 8.4 | kJ/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 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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° | 1467. ± 14. | kJ/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° | <1551. ± 9.2 | kJ/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° | 1439. ± 14. | kJ/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° | <1523. ± 8.4 | kJ/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 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, 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: Marilyn E. Jacox
State: X
Additional references: Jacox, 1994, page 336; Oldani, Ha, et al., 1983
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]
Giguere and Olmos, 1952
Giguere, P.A.; Olmos, A.W.,
A SPECTROSCOPIC STUDY OF HYDROGEN BONDING IN PERFORMIC AND PERACETIC ACIDS,
Can. J. Chem., 1952, 30, 11, 821, https://doi.org/10.1139/v52-099
. [all data]
Maker, Niki, et al., 1977
Maker, P.D.; Niki, H.; Savage, C.M.; Breitenbach, L.P.,
Fourier transform infrared spectrometric determination of gaseous performic acid,
Anal. Chem., 1977, 49, 9, 1346, https://doi.org/10.1021/ac50017a016
. [all data]
Tyblewski, Dommen, et al., 1991
Tyblewski, M.; Dommen, J.; Ha, T.-K.; Bauder, A.,
Spectrochim. Acta, 1991, 47A, 397. [all data]
Bauder, Dommen, et al., 1990
Bauder, A.; Dommen, J.; Hollenstein, H.; Luckhaus, D.; Quack, M.,
The ν6 fundamental band of peroxyformic acid near 1125 cm-1,
J. Mol. Spectrosc., 1990, 143, 2, 268, https://doi.org/10.1016/0022-2852(91)90091-N
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Oldani, Ha, et al., 1983
Oldani, M.; Ha, T.-K.; Bauder, A.,
Microwave spectrum, dipole moment, and substitution structure of peroxyformic acid,
J. Am. Chem. Soc., 1983, 105, 3, 360, https://doi.org/10.1021/ja00341a011
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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
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