Vazquez-Tato, M. Pilar published the artcileHighly Hydrophilic and Lipophilic Derivatives of Bile Salts, Computed Properties of 111-87-5, the main research area is bile salt hydrophilicity lipophilicity heat capacity partition coefficient; bile acids and salts; demicellization thermodynamics; hydrophilic-lipophilic balance; isothermal titration calorimetry; lipophilicity; partition coefficient.
Lipophilicity of 15 derivatives of sodium cholate, defined by the octan-1-ol/water partition coefficient (log P), has been theor. determined by the Virtual log P method. These derivatives bear highly hydrophobic or highly hydrophilic substituents at the C3 position of the steroid nucleus, being linked to it through an amide bond. The difference between the maximum value of log P and the min. one is enlarged to 3.5. The partition coefficient and the critical micelle concentration (cmc) are tightly related by a double-logarithm relationship (VirtuallogP=-(1.00 ±0.09)log(cmcmM)+(2.79±0.09)), meaning that the Gibbs free energies for the transfer of a bile anion from water to either a micelle or to octan-1-ol differ by a constant The equation also means that cmc can be used as a measurement of lipophilicity. The demicellization of the aggregates formed by three derivatives of sodium cholate bearing bulky hydrophobic substituents has been studied by surface tension and isothermal titration calorimetry. Aggregation numbers, enthalpies, free energies, entropies, and heat capacities, δCP,demic, were obtained. δCP,demic, being pos., means that the interior of the aggregates is hydrophobic.
International Journal of Molecular Sciences published new progress about Aggregation. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Computed Properties of 111-87-5.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts