Solvation descriptors for N-nitrosodialkylamines; calculation of some of their properties of environmental significance.

Literature data on various physicochemical properties of N-nitrosodialkylamines have been analyzed using our general solvation equations, to yield properties or descriptors for these compounds, viz. S the dipolarity/ polarizability, A hydrogen bond acidity, B the hydrogen-bond basicity, and L the logarithm of the gas-hexadecane partition coefficient. Descriptors for 35 nitrosocompounds have been evaluated. From these descriptors, various important properties of environmental interest have been estimated, including the gas-water and water-octanol partition coefficients, and solubilities in water.