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, NIST Free Links, 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° | 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 |
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 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 |
Vibrational and/or electronic energy levels
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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 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, NIST Free Links, 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, NIST Free Links, 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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