Science and Technology Production
Article
Authorship
Marino, D.J.G.
;
PERUZZO, PABLO JOSE
;
Krenkel, G.
;
Castro, E.A.
Date
2003
Publishing House and Editing Place
ELSEVIER SCIENCE BV
Magazine
CHEMICAL PHYSICS LETTERS,
vol. 369
(pp. 325-334)
ELSEVIER SCIENCE BV
Summary
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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.
Key Words
ALIPHATIC KETONESQSPRELECTROTOPOLOGICAL INDEX