I am trying to calculate the solubility parameter of a molecule: 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester
(HEH[EHP])
The method commonly used uses group contributions. For the constituting groups, parameters are known which can then be combined to a decent estimate for the molecule at hand. Did you have a look at this?
Yes, I tried from using the groupes “Handbook of Solubility Parameters and Other Cohesion Parameters,” but the phosphorus group pose me problem
OP(=O)OH
There is some recent work on that.
Did you see DOI: 10.1177/0040517517741161 ?
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