Journal
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
Volume 41, Issue 4, Pages 1067-1074Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ci010003a
Keywords
-
Ask authors/readers for more resources
Solubility of fullerene C-60 in 75 organic solvents was examined to develop quantitative structure-solubility relationships. Topological indices and polarizability parameter computed from refractive index were used to form the regression models. The models suggested for individual data sets such as alkanes, aklyl halides, alcohols, cycloalkanes, alkylbenzenes, and aryl halides have good predictive ability and are better than the models for the combined groups. Inclusion of an indicator parameter which is a combination of atom contributions and contributions of substituents' position in benzenes improved the predictive ability significantly.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available