Calculation of molecular polarizability and water solubility of alkanes and alcohols

Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, 

CC 962, 1900 La Plata, Argentina

E-mail : castro@dalton.quimica.unlp.edu.ar

Manuscript received 10 July 2000, accepted 8 December 2000

            Molecular polarizabilities and water solubilities of alkanes and alcohols have been calculated resorting to quite simple re­gression equations within the framework of the Quantitative Structure Activity (Property) Relationships theory. The basic molecular descriptors are atoms and chemical bonds. Results are quite satisfactory and compare favorably with another one determined via more elaborated indices. Some possible future extensions of the method are pointed out.