Selected structural descriptors and RM values for calculation and prediction of molar volume of homologous series of saturated fatty acids
Alina Pyka, Katarzyna Bober · INDIAN JOURNAL OF CHEMISTRY- SECTION A · 2003
Homo logous seri es of saturated fatty acids, from ethano ic to octadecano ic. have been characteri zed by selected stru ctural descripto rs based o n di stance ma tri x, adj acency matri x. info rmati o n th eory as well as e lectroto po logical states. Fatt y ac id s, from pent a no ic to octadecano ic have been separated by means o f RP-HPTLC, o n plates RP-1 8 wit h and witho ut concentratin g zone, us in g mobil e phases me th ano l-water, ethanol-wate r a nd II -propano l-wate r in volume rati o 100:0, 95:5 as we ll as 90: 10. The relati o nships ex isting between mo lar vo lume (VIll ) and structural descriptors o r RM valu es (obtained by means o f RP- HPTLC) o f saturated fa tt y acids ha ve been investi ga ted . Comparison and estimati o n of usefulness o f structural descriptors selected and RM valu es fo r calculating a nd predicting of mo lar volume of saturated fatty ac id s, from ethano ic to octanoic, is presented. It is stated that both structural descripto rs a nd RM values can serve for calc ul atin g and predicting th e mo lar volume o f fatt y acids in ves ti gated. but th e se lected traditi onal structura l descripto rs be tte r described the molar volume than th e RM va lu es.