Amelorate Qspr Study of Alkyl Hydroperoxides

Science Direct Working Paper No S1574-0331(04)70459-2

8 Pages Posted: 30 May 2017 Last revised: 23 Dec 2017

See all articles by Gustavo Romanelli

Gustavo Romanelli

Universidad Nacional de La Plata - Departamento de Quimica

Lázaro Cafferata

Universidad Nacional de La Plata - Departamento de Quimica

Eduardo Alberto Castro

Universidad Nacional de La Plata - Departamento de Quimica

Date Written: March 2001

Abstract

A set of linear and non linear functions in one and several variables are determined to predict refraction index, molar refractivity, and density for a representative set of alkyl–hydroperoxides. Results shows that quite satisfactory predictions can be made on the basis of these equations and that in some cases it is necessary to resort to higher-order formulae to get very good quantitative descriptions of physical chemistry properties.Some possible further extensions of this study are pointed out in order to get a step head in the understanding of the quantitative structure-property relationships of alkyl-hydroperoxides.

Keywords: Physical Chemistry > Theoretical Chemistry, physchem/0103015

Suggested Citation

Romanelli, Gustavo and Cafferata, Lázaro and Castro, Eduardo Alberto, Amelorate Qspr Study of Alkyl Hydroperoxides (March 2001). Chemistry Preprint Archive Vol. 2001, Issue 3, pp 347-354. Available at SSRN: https://ssrn.com/abstract=2969500

Gustavo Romanelli

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

Lázaro Cafferata

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

Eduardo Alberto Castro (Contact Author)

Universidad Nacional de La Plata - Departamento de Quimica ( email )

Calle 47 y 115
La Plata, 1900
Argentina

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