Typical Of Pops In The Octanol / Air Partition Coefficient Debris Constant Model

The octanol-air partition coefficient (KOA) is a key physicochemical parameter for describing the partition of organic pollutants between air and environmental organic phases. The development of appropriate method to estimate KOA is of great importance. In the present study, the application of KOA in describing the fate of organic pollutants in the environment and the methods to determine or predict KOA values are reviewed, and based on 76 logKOA values ranging from 4.51 to 13.86 at 20 C, a fragment constant method for predicting logKOA was developed. 6 fragment constants and 3 structural correction factors were identified in the fragment model. No systematic trends of residuals were observed and the distribution of residuals follows normal distribution. The model was further verified as successful by comparing the estimated logKOA values and the empirical values from a validation set. The fragment method can be used to estimate logKOA values of CBs, PCNs, PCBs, PCDD/Fs, PAHs and PBDEs at 20 C.