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Thermochemistry of heteroatomic compounds

18. The enthalpies of vaporization, solvation, and formation of isomeric 2,5-dimethyl-1-phenyl-1-thioxophosphorinan-4-ones

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Abstract

The enthalpies of solvation of four geometric isomers of 2,5-dimethyl-1-phenyl-1-thioxophosphorinan-4-one in chloroform, nitrobenzene, and methanol were calculated using the enthalpies of vaporization of the isomers determined by the modified Solomonov—Konovalov method from the enthalpies of solution of the compounds in CCl4 andp-xylene and molar refractions. The enthalpies of formation (ΔH f o) of the isomers in the condensed and gas phase were assessed in the framework of Benson's group additivity scheme by summing the ΔH f o values for phosphacycloketone fragments obtained from molecular mechanics calculations with the contributions of the phenyl group and S atom attached to the P atom.

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Published inIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1533–1536, September, 2000.

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Ovchinnikov, V.V., Lapteva, L.I., Sitnikova, E.Y. et al. Thermochemistry of heteroatomic compounds. Russ Chem Bull 49, 1522–1525 (2000). https://doi.org/10.1007/BF02495153

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  • DOI: https://doi.org/10.1007/BF02495153

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