Volume-Kow Relationships

Molecular Volume-Kow Relationships Relationships between Kow and different volume parameters have been reported. Leo et al. [41] compare correlations with Bondi and with CPK volume for two classes of apolar molecules (1) alkanes and alkylsilanes, and (2) perhalogenated alkanes and aromatic and haloaromatic compounds. Further, these authors discuss analogous correlations for alkanols and alkylphenols. 

Polarizability-Kow Relationships Molar polarizabilities can be derived from molecular orbital (MO) calculations by the complete neglect of differential overlap (CNDO) method [42]. The following correlation has been found for polar compounds that contain either hydrogen-bond-accepting or hydrogen-bond-donating groups (alkanols, alkanones, dialkyl ethers, alkanenitriles)  

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