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Partition coefficient
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===Log ''P'' from log ''S''=== If the solubility, ''S'', of an organic compound is known or predicted in both water and 1-octanol, then log ''P'' can be estimated as<ref name="Nieto-Draghi_2015">{{cite journal | vauthors = Nieto-Draghi C, Fayet G, Creton B, Rozanska X, Rotureau P, de Hemptinne JC, Ungerer P, Rousseau B, Adamo C | title = A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes | journal = Chemical Reviews | volume = 115 | issue = 24 | pages = 13093β164 | date = December 2015 | pmid = 26624238 | doi = 10.1021/acs.chemrev.5b00215 }}</ref><ref>{{cite journal | vauthors = Pinsuwan S, Li A, Yalkowsky SH | title = Correlation of Octanol/Water Solubility Ratios and Partition Coefficients | journal = Journal of Chemical & Engineering Data | date = May 1995 | volume = 40 | issue = 3 | pages = 623β626 | doi = 10.1021/je00019a019 }}</ref> : <math>\log P = \log S_\text{o} - \log S_\text{w}.</math> There are a variety of approaches to [[Solubility#Solubility prediction|predict solubilities]], and so log ''S''.<ref name="pmid21470182">{{cite journal | vauthors = Wang J, Hou T | title = Recent advances on aqueous solubility prediction | journal = Combinatorial Chemistry & High Throughput Screening | volume = 14 | issue = 5 | pages = 328β38 | date = June 2011 | pmid = 21470182 | doi = 10.2174/138620711795508331 }}</ref><ref name="pmid25660403">{{cite journal | vauthors = Skyner RE, McDonagh JL, Groom CR, van Mourik T, Mitchell JB | title = A review of methods for the calculation of solution free energies and the modelling of systems in solution | journal = Physical Chemistry Chemical Physics | volume = 17 | issue = 9 | pages = 6174β91 | date = March 2015 | pmid = 25660403 | doi = 10.1039/c5cp00288e | url = https://research-repository.st-andrews.ac.uk/bitstream/10023/6096/1/c5cp00288e.pdf | bibcode = 2015PCCP...17.6174S | doi-access = free }}</ref>
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