Methyl peroxide


Gas phase thermochemistry 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 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
Δfgas-31.31kcal/molEqkKhursan and Martem'yanov, 1991hf from V. P.Komissarov's report; ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.56150.Dorofeeva O.V., 1997p=1 bar.; GT
10.31100.
11.62150.
12.70200.
15.0 ± 0.7298.15
15.03300.
17.60400.
20.02500.
22.13600.
23.941700.
25.502800.
26.855900.
28.0331000.
29.0581100.
29.9551200.
30.7391300.
31.4221400.
32.0221500.

Phase change 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δvap8.4kcal/molVBlat, Gerber, et al., 1939ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.01268.AStephenson and Malanowski, 1987Based on data from 253. - 313. K. See also Egerton, Emte, et al., 1951.; AC

Reaction thermochemistry 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

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Individual Reactions

CH3O2- + Hydrogen cation = Methyl peroxide

By formula: CH3O2- + H+ = CH4O2

Quantity Value Units Method Reference Comment
Δr374.63 ± 0.76kcal/molG+TSBlanksby, Ramond, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Δr367.60 ± 0.70kcal/molIMREBlanksby, Ramond, et al., 2001gas phase

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
310.5200.MN/A 
300.5300.MN/AThis value is a correction of the solubility published by missing citation.

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

CH3O2- + Hydrogen cation = Methyl peroxide

By formula: CH3O2- + H+ = CH4O2

Quantity Value Units Method Reference Comment
Δr374.63 ± 0.76kcal/molG+TSBlanksby, Ramond, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Δr367.60 ± 0.70kcal/molIMREBlanksby, Ramond, et al., 2001gas phase

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, NIST Free Links, 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]

Blat, Gerber, et al., 1939
Blat, E.J.; Gerber, M.J.; Neumann, M.B., The influence of organic peroxides on the cool flame of butane, Acta Physicochim. U.R.S.S., 1939, 10, 273-296. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Egerton, Emte, et al., 1951
Egerton, A.C.; Emte, W.; Minkoff, G.J., Some properties of organic peroxides, Faraday Discuss. Chem. Soc., 1951, 10, 278. [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

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