Ameliorate QSPR study of alkyl hydroperoxides

Citation
Gp. Romanelli et al., Ameliorate QSPR study of alkyl hydroperoxides, RUSS J G CH, 71(2), 2001, pp. 257-260
Citations number
20
Categorie Soggetti
Chemistry
Journal title
RUSSIAN JOURNAL OF GENERAL CHEMISTRY
ISSN journal
10703632 → ACNP
Volume
71
Issue
2
Year of publication
2001
Pages
257 - 260
Database
ISI
SICI code
1070-3632(200102)71:2<257:AQSOAH>2.0.ZU;2-J
Abstract
A set of linear and nonlinear functions of one and several variables are de termined to predict refractive index, molar refraction, and density for a r epresentative set of alkyl hydroperoxides. Quite satisfactory predictions c an be made on the basis of these equations and in some cases it is necessar y to resort to higher-order equations to get a very good quantitative descr iption of physical properties. Some possible further extensions of this stu dy are pointed out in order to get a step head in the understanding of the quantitative structure-property relationships of alkyl hydroperoxides.