Molecular structure solubility, effect

Monomers Molecular structure Glass transition Order-crystallinity Type of material Solubility Effect of T°... 

QSPRs in which solubilities and vapor pressures are correlated against molecular structure are done exclusively using the liquid state property. This avoids the complication introduced by the effect of fugacity ratio or melting point on the solid state property. 

Cho, H.-H., Park, J.-W., Liu, C.K. (2002) Effect of molecular structures on the solubility enhancement of hydrophobic organic compounds by environmental amphiphiles. Environ. Toxicol. Chem. 21, 999-1003. 

Effects of the Molecular Structure of the Solute on its Solubility in SCCO2. 117... 

The vendor claims that CORPEX chemicals are more effective than other existing chelants in removing heavy metals and radioactive metal ions because of their unique molecular structures and enhanced solubility in water. They are effective over a wide range of temperatures (from freezing to boiling) and variable pH (from 1 to 14). The chemicals can be oxidized after the cleaning process and no undesirable residues are left—only water, carbon dioxide, carbon monoxide, and nitrogen. 

Building predictive QSAR and QSPR models is a cost-effective way to estimate biological activities, physicochemical properties such as partition coefficients and solubility, and more complicated pharmaceutical endpoints such as metabolic stability and volume of distribution. It seems to be reasonable to assume that structurally similar molecules should behave similarly. That is, similar molecules should have similar biological activities and physicochemical properties. This is the (Q)SAR/(Q)SPR hypothesis. Qualitatively, both molecular interactions and molecular properties are determined by, and therefore are functions of, molecular structures. Or... 

C.L. McCormick, RD. Hester, S.E. Morgan, and A.M. Safieddine, Water-soluble copolymers. 30. Effects of molecular structure on drag reduction efficiency, Macromolecules, 23(8) 2124-2131, April 1990. 

The salt effect is attributable to the formation of preferential solvation from the standpoint of molecular structure. In other words, when calcium chloride, which dissolves readily in methanol but very little in ethyl acetate, was added to the methanol-ethyl acetate system to saturation, calcium chloride formed with methanol the preferential solvate which may be written CaCl2 6CH30H. It was also shown from the observation of solubility that the solvated methanol molecules did not participate in the vapor-liquid equilibrium. 

---