Reliable Prediction of the Octanol–Air Partition Ratio - Baskaran, Sivani; Lei, Ying Duan; Wania, Frank (Environmental toxicology and chemistry, 2021)
Keywords: Aerosols; Aromatic compounds; blood; Chemical partition; ecotoxicology; Environmental partitioning; Environmental Toxicology; equations; Foliage; Free energy; Gibbs free energy; leaves; milk; Octanol; Octanols - chemistry; Organic chemicals; Organic Chemicals - chemistry; Organic chemistry; Organic contaminants; Organic matter; Partitioning coefficient; Partitioning ratio; Polymers; prediction; Predictions; Quantitative structure–activity relationships; Root-mean-square errors; solutes; Sorbents; Temperature; Toxicology; uncertainty; Water - chemistry; Quantitative structure-activity relationships; Organic contaminants; Partitioning coefficient; Environmental partitioning; Partitioning ratio