Step 4: Set pure compound parameters

In the COSMO-RS model (see Ref.[2] in the COSMO-RS manual) there is a ring correction term. This is important for, for example, the benzene molecule, which has 6 ring atoms. However, it is really required only when the vapor pressure of the compound is going to be computed (either because that is explicitly requested or because it is used in predicting partial vapor pressures in a mixture or gas/liquid partitioning coefficients).

Click on the left side benzene
Enter '6' without quotes in the 'Nring' field on the right side
compound benzene

For some properties, like solubility of a solid, one can include some pure compound properties in the left window of the 'Compounds' window for a selected compound.

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