QSPR Study of Boiling Points of Alkyl Alcohols via Improved Polynomial Relationships

E.A. CASTRO; M.J. TUEROS

Philippine Journal of Science

Science and Technology Information Institute

Año: 2001 p. 11 - 117

0031-7683

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.