Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds

摘要

From literature data on partition coefficients and in some cases solubilities in nonaqueous solvents we have been able to determine Abraham descriptors for several series of organophosphorus compounds including the dialkyl- and diaryl-phosphates (dialkylphosphoric acids), trialkyl- and triphenyl-phosphates, dialkylphosphinic acids and diphenylphosphinic acid, trialkyl- and triaryl-phosphine oxides, and dialkylphosphites and triarylphosphines. Other organophosphorus compounds studied were dimethyl methylphosphonate and the flame retardant PBMP. For all these compounds, knowledge of the Abraham descriptors enables partition coefficients to be predicted for transfer from water to over 40 (wet) solvents. If the solubility of a given compound in just one dry solvent (out of a list of 47 dry solvents) is available, then the solubility in all the other listed dry solvents can be predicted through very simple equations.