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.
Abraham
Michael H
MH
Department of Chemistry, University College London, UK. m.h.abraham@ucl.ac.uk
Al-Hussaini
Amal J M
AJ
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004785:Environmental Pollutants / Q000032:analysis*; D006860:Hydrogen Bonding; D009602:Nitrosamines / Q000032:analysis / Q000737:chemistry*; D000442:Octanols; D012997:Solvents; D014835:Volatilization; D014867:Water
D004785:Environmental Pollutants; D009602:Nitrosamines; D000442:Octanols; D012997:Solvents; D014867:Water