ethyl hydroperoxide

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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-50.kcal/molCcbStathis and Egerton, 1940ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
19.75298.15Lay T.H., 1996Selected values were obtained by ab initio calculation.; GT
19.79300.
23.929400.
27.689500.
30.880600.
35.880800.
39.5411000.
45.1411500.

Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-335.17 ± 0.20kcal/molCcbStathis and Egerton, 1940Corresponding Δfliquid = -57.88 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
15.3268.AStephenson and Malanowski, 1987Based on data from 253. - 363. K. See also Egerton, Emte, et al., 1951 and Dykyj, 1970.; AC
10.190253.VEgerton, Emte, et al., 1951ALS

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

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

C2H5O2- + Hydrogen cation = ethyl hydroperoxide

By formula: C2H5O2- + H+ = C2H6O2

Quantity Value Units Method Reference Comment
Δr370.9 ± 2.1kcal/molG+TSBlanksby, Ramond, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Δr363.9 ± 2.0kcal/molIMREBlanksby, Ramond, et al., 2001gas phase

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stathis and Egerton, 1940
Stathis, E.C.; Egerton, A.C., Note on heats of formation of ethyl and propyl peroxides, Trans. Faraday Soc., 1940, 36, 606. [all data]

Lay T.H., 1996
Lay T.H., Ab initio study of alpha-chlorinated ethyl hydroperoxides CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH: conformational analysis, internal rotation barriers, vibrational frequencies, and thermodynamic properties, J. Phys. Chem., 1996, 100, 8240-8249. [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [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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