title: 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 water-octanol partition coefficients, and solubilities in water.
authors.affiliation: Department of Chemistry, University College London, UK. m.h.abraham@ucl.ac.uk
authors.forename: Michael H
authors.initials: MH
authors.lastname: Abraham
authors.forename: Amal J M
authors.initials: AJ
authors.lastname: Al-Hussaini
mesh_terms: 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
chemical_list: D004785:Environmental Pollutants; D009602:Nitrosamines; D000442:Octanols; D012997:Solvents; D014867:Water