## Abstract This study examines the transferability of fragmental contributions to the octanol/water partition coefficient. As a previous step, we report the parameterization of the AM1 and PM3 versions of the MST model for __n__βoctanol. The final AM1 and PM3 MST models reproduce the experimental
Substituent contribution to the partition coefficients of substituted benzenes in solvent-water mixtures
β Scribed by Cary T. Chiou; David W. Schmedding; John H. Block; Milton Manes
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- English
- Weight
- 373 KB
- Volume
- 71
- Category
- Article
- ISSN
- 0022-3549
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π SIMILAR VOLUMES
## Abstract Intermolecular effects are shown to induce a variation of about 5 ppm in the nitrogen NMR shieldings of aromatic nitro groups. The latter turn out to be comparable to those exerted by substituents in nitrobenzene derivatives in solutions in a given solvent. Substituent effects on the NO
## Abstract Electrochemical oxidation of various __para__β and __meta__βsubstituted benzylamines in different mole fractions of 2βmethylpropanβ2βol in water has been investigated in the presence of 0.1 M sulfuric acid as supporting electrolyte. The oxidation potential data of benzylamines correlate
Gas-phase densities of the systems: pure water, methane, n-hexane, n-octane, and benzene were measured at temperatures from 523.15 K to 673.15 K and at pressures up to approximately 100 MPa. Second and third virial coefficients were determined for each system, and the cross virial coefficients were