| PJS Vol 130 No. 2, December 2001 | |
| Page 111-117 | |
| ISSN 0031-7683 |
QSPR Study of Boiling Points of Alkyl Alcohols Via Improved Polynomial Relationships
Eduardo A. Castro* and Matías Tueros
CEQUINOR, Departamento de Qímica, Facultad de Ciencias Exactas
Universidad Nacional de la Plata, C.C 962, La Plata 1900, Argentina
*corresponding author: This email address is being protected from spambots. You need JavaScript enabled to view it.. ar
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.
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