Determining the Octanol-Water Partition Coefficient of N-Nitrosodimethylamine

N-Nitrosodimethylamine (NDMA) is a semi-volatile environmental contaminant that affects groundwater resources. Accurate measurement of the octanol-water partition coefficient plays an important role in the prediction of the environmental impact of the pollutant. The present study involves the prediction of octanol-water partition coefficient of NDMA by molecular simulation.