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- W2088571555 abstract "A series of disubstituted benzene derivatives were examined for their lipophilicity as measured by reversed-phase high-performance liquid chromatography (RP-HPLC) and the results were combined with those of a previous study to form a set of 75 compounds. The interactions between substituents were quantified by the difference (T*) between experimental and calculated (by summing separately determined substituent constants) log kw values. For meta- and para-substituted derivatives, the T* term could be correlated with electronic parameters (ϱσ model), while for ortho derivatives the ortho-effect was expressed by a single indicator Io accounting for both steric effects hydrogen bonds. A single equation (eqn. 16) was derived which described the log kw values of all 75 compounds with a correlation coefficient of 0.988. This equation was tested with a small series of polysubstituted benzenes and proved successful in predicting their log kw values." @default.
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- W2088571555 date "1987-01-01" @default.
- W2088571555 modified "2023-09-23" @default.
- W2088571555 title "Structural effects in the lipophilicity of di- and polysubstituted benzenes as measured by reversed-phase high-performance liquid chromatography" @default.
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- W2088571555 doi "https://doi.org/10.1016/s0021-9673(01)94408-5" @default.
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