Validation of Calculated Bond Strengths in CH3OOH and

2 Validation of Calculated Bond Strengths in CH3OOH and CH3CH2OOH 

Methyl and ethyl-hydroperoxides enthalpy values are among the rare peroxides for which data are available in the literature. To test and validate the accuracy of our calculated bond energies for unsaturated hydroperoxides, we have compared our estimated bond strengths for CH3OOH and CH3CH2OOH with the bond energies given in the literature. 

Stocker and Pilling [121] derived a ROO— H value of 87.56 kcal mof from evaluation of the literature and Slagle and Knayzev use the value of Stocker and Pilling in their evaluation. Sun 

Differences in the ROO—bond energy value for methyl and ethyl -hydroperoxides are only about 2 kcal mof.  

The RO—OH bonds in saturated alkyl hydroperoxides are weak, typically 44 to 46 kcal moT, as recently reported by Mulder et al. [123], Values in this study around 45 kcal moT are in good agreement with the literature. 

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