Producción CyT
Artículo
Autoría
Marino, D.J.G.
;
PERUZZO, PABLO JOSE
;
Krenkel, G.
;
Castro, E.A.
Fecha
2003
Editorial y Lugar de Edición
ELSEVIER SCIENCE BV
Revista
CHEMICAL PHYSICS LETTERS,
vol. 369
(pp. 325-334)
ELSEVIER SCIENCE BV
Resumen
Información suministrada por el agente en
SIGEVA
This work deals with the application of the electrotopological index to calculate the enthalpies of formation and vaporization of a set of 39 linear and non-linear C4 to C12 aliphatic ketones within the realm of QSPR theory. Two variants of this index are employed and results show the best results are obtained when the polar and hydrophobic portion of the molecules are taken into consideration.
Palabras Clave
ALIPHATIC KETONESQSPRELECTROTOPOLOGICAL INDEX