Qspr Study of Boiling Points of Alkyl Alcohols Via Improved Polynomial Relationships
Matias Jorge Tueros, Eduardo Alberto Castro · SSRN Electronic Journal · 2001
Improved polynomial relationships to calculate normal boiling points of 58 alkyl alcohols are given. Three topological indices (Schulz’s index, Randic’s connectivity index and Wiener’s number) are employed in order to extend some previous results. Resorting to a multiple regression analysis and computing higher order equations seems to be a suitable way to ameliorate precedent predictions based upon rather simple and modest formulae, since the pertinent comparison shows that our results are better than previous ones.