QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index |
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Authors: | Khadikar Padmakar V Mandloi Dheeraj Bajaj Amrit V Joshi Sheela |
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Institution: | Research Division, Laxmi Fumigation and Pest Control, 3, Khatipura, Indore 452007, India. sachin_g@sancharnet.in |
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Abstract: | The aqueous solubility (S(w)) of liquids and solids, expressed as log S(w) as well as their partition coefficients in different solvent systems viz. P(oct) (partition coefficient in octanol-water), P(16) (partition coefficient in water-hexadecane), P(alk) (partition coefficient in water-alkane), and P(cyc) (partition coefficient in water-cyclohexane), and aqueous solubility (S(w)) have been estimated using the PI (Padmakar-Ivan) index and the results compared with those obtained using the widely used Wiener index (W). Regression analysis of the data using n-alkanes show that the PI index gives better results than the W index. |
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