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