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Enthalpies of formation for alkylcarbonyl radicals

  • Chemical Thermodynamics and Thermochemistry
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Abstract

The data on enthalpies of formation (Δf H ○) of alkylcarbonyl radicals are expanded to 22 items. The reference value of Δf H ○ for diacetylperoxide in the gas phase (−485.5 kJ/mol) is determined via recalculation from evaporation enthalpy (n-C5H11C(O)O)2. The Δf H ○ values of 22 diacylperoxides (gaseous) are calculated and used in combination with the literature data on dissociation energies of D(O-O) bonds in them to determine the Δf H ○ of corresponding radicals. The interrelation between structure and properties (the enthalpy of formation) is considered, and the parameters for the calculated prediction of Δf H ○ are found.

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Authors and Affiliations

  1. Tver State University, Tver, 170100, Russia

    Yu. D. Orlov, V. M. Nikolsky, V. V. Turovtsev & E. M. Chernova

  2. Tver State Medical Academy, Tver, 170100, Russia

    V. V. Turovtsev

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  1. Yu. D. Orlov
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  2. V. M. Nikolsky
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  3. V. V. Turovtsev
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  4. E. M. Chernova
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Correspondence to Yu. D. Orlov.

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Original Russian Text © Yu.D. Orlov, V.M. Nikolsky, V.V. Turovtsev, E.M. Chernova, 2014, published in Zhurnal Fizicheskoi Khimii, 2014, Vol. 88, Nos. 7–8, pp. 1089–1092.

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Orlov, Y.D., Nikolsky, V.M., Turovtsev, V.V. et al. Enthalpies of formation for alkylcarbonyl radicals. Russ. J. Phys. Chem. 88, 1273–1276 (2014). https://doi.org/10.1134/S0036024414080202

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  • DOI: https://doi.org/10.1134/S0036024414080202

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