A. Pyka, THE APPLICATION OF TOPOLOGICAL INDEXES (IT) FOR PREDICTION OF THE RM VALUES OF ISOMERIC ALCOHOLS .5., JPC. Journal of planar chromatography, modern TLC, 7(1), 1994, pp. 41-49
Selected aromatic alcohols have been separated by TLC and correlations
sought between R(M), the partition coefficient, log P, calculated usi
ng Rekker fragmental constants, and the numerical values of the topolo
gical indexes M, 0X(v), 1X(v), 2X(v), 3X(v), W, I(B), A, 0B, 1B, 2B, B
-2(q), 3B, B-3(q), C, D, and X012. Many correlation coefficients (r >
0.99) were indicative of high correlation, enabling prediction of R(M)
, log P, and numerical values of topological indexes for the alcohols
investigated. By suitable transformation of the equations obtained it
was possible to derive new correlation equations enabling the calculat
ion of numerical values of topological indexes which could be used in
the formulation of rules for analytical identification of the compound
s studied.