Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
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DOI: 10.1021/acs.jcim.9b00212
Abstract: Partition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational… read more here.
Keywords: octanol air; octanol water; partition; partition coefficients ... See more keywords