New Group Contribution Method for Estimating Hydrophobic Constants of Selected Organic Pollutants

1999 
In this paper,a relatively simple and applicable group contribution model is proposed,which is used to calculate or predict the hydrophobic constants.with a progressive regression method,the experimental hydrophobic constants of 203 compounds,which are internationally accepted,are utilized to determine 49 group contribution values.Based on this new group contribution model for the hydrophobic constant,the hydrophobic constant of 203 compounds is then calculated. Compared with the experimental data, the total average relative deviation (ARD) for this model is 4.43%.The ARD are within the experimental deviation scopes.It is shown from their calculation or prediction results that,this new model is feasible for the hydrophobic constant calculation.
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