Step 6: Calculate partition coefficients (log P)

The partition coefficients (log P) of infinitely diluted solutes in a mixture of two immiscible solvents can be calculated with Properties → Solvent Log Partition Coefficients.

Select Properties → Solvent Log Partition Coefficients
Select 'benzene' for the first component in the solvent
Select 'water' for the second component in the solvent
Click the check box 'Use input volume solvent phase 1/phase 2'
Enter '4.93' in the 'Use input volume solvent phase 1/phase 2' field
Press 'Run'
logp input

In case of partly miscible liquids, like, for example, the octanol-rich phase of octanol and water, both components have nonzero mole fractions.

Here an input value is used for the volume quotient of the two solvents. If one does not include such value, the program will use the COSMO volumes to calculate the volume quotient. The COSMO volumes can be found in the 'Compounds' window.

The result of the calculation is given in the form of a table.

logp table
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