Murray, Jane S.’s team published research in Journal of Molecular Modeling in 2020-09-30 | CAS: 111-87-5

Journal of Molecular Modeling published new progress about Coulomb potential. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Murray, Jane S. published the artcileA general model for the solubilities of gases in liquids, Formula: C8H18O, the main research area is general model solubility gas liquid; Aqueous solutions; Coulombic interactions; Dispersion; Electrostatic potentials; Gaseous solubility; Organic solvents; Polarizability.

The solubility of a compound is one of its most important properties. Here, regression relationships are presented for solubilities of a series of gases in water and in four organic solvents, treating each solvent sep. The solubilities are related to the Coulombic intermol. interactions arising from the intrinsic polarities of the solute mols. and the polarities induced in them by the solvent. As a measure of intrinsic polarity, a statistical quantity defined in terms of the solute’s mol. electrostatic potential is used, and the measure of induced polarity is taken to be the solute’s mol. polarizability. Regression analyses show that solubility in water is best expressed in terms of just the intrinsic polarities of the solutes, but for the organic solvents, it is necessary to take into account both the intrinsic and the induced polarities of the solutes. If the dielec. constant of the solvent is included in the regression anal., then a single relationship can encompass all four organic solvents. Solute mol. volumes were not found to contribute significantly to the present relationships.

Journal of Molecular Modeling published new progress about Coulomb potential. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts