Methyl peroxide
- Formula: CH4O2
- Molecular weight: 48.0413
- IUPAC Standard InChI: InChI=1S/CH4O2/c1-3-2/h2H,1H3
- IUPAC Standard InChIKey: MEUKEBNAABNAEX-UHFFFAOYSA-N
- CAS Registry Number: 3031-73-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -31.31 | kcal/mol | Eqk | Khursan and Martem'yanov, 1991 | hf from V. P.Komissarov's report; ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.561 | 50. | Dorofeeva O.V., 1997 | p=1 bar.; GT |
| 10.31 | 100. | ||
| 11.62 | 150. | ||
| 12.70 | 200. | ||
| 15.0 ± 0.7 | 298.15 | ||
| 15.03 | 300. | ||
| 17.60 | 400. | ||
| 20.02 | 500. | ||
| 22.13 | 600. | ||
| 23.941 | 700. | ||
| 25.502 | 800. | ||
| 26.855 | 900. | ||
| 28.033 | 1000. | ||
| 29.058 | 1100. | ||
| 29.955 | 1200. | ||
| 30.739 | 1300. | ||
| 31.422 | 1400. | ||
| 32.022 | 1500. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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: John E. Bartmess
De-protonation reactions
CH3O2- + =
By formula: CH3O2- + H+ = CH4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 374.63 ± 0.76 | kcal/mol | G+TS | Blanksby, Ramond, et al., 2001 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 367.60 ± 0.70 | kcal/mol | IMRE | Blanksby, Ramond, et al., 2001 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, 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.
Khursan and Martem'yanov, 1991
Khursan, S.L.; Martem'yanov, V.S.,
Thermochemistry of the recombination of peroxyl radicals,
Russ. J. Phys. Chem. (Engl. Transl.), 1991, 65, 321-325. [all data]
Dorofeeva O.V., 1997
Dorofeeva O.V.,
Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [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 thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions 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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