P. Ruelle et Uw. Kesselring, PREDICTION OF THE AQUEOUS SOLUBILITY OF PROTON-ACCEPTOR OXYGEN-CONTAINING-COMPOUNDS BY THE MOBILE ORDER SOLUBILITY MODEL, Journal of the Chemical Society. Faraday transactions, 93(11), 1997, pp. 2049-2052
Citations number
33
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
The general solubility equation for real solutions derived from mobile
order theory is successfully applied to predict the aqueous solubilit
y of 232 oxygen-containing proton acceptor substances, i.e., ketones,
ethers, esters and aldehydes. Obtained from a strictly thermodynamic b
asis, the model leads to a better understanding of the solution proces
s and of the factors that determine solubility in aqueous solution. Th
e analysis of the relative importance of the various terms contributin
g to the overall solubility demonstrates that the solubility in water
is essentially governed by the hydrophobic effect. This effect is also
responsible for the lowering of solubility with increasing molar volu
me of the solute. A positive effect on solubility is brought about by
H-bond formation between water and solute molecules. The mobile order
thermodynamics provides explanations for the empirically observed solu
bility-volume linear relationships.