ESTIMATION OF ENTROPIES OF FUSION OF ORGANIC-COMPOUNDS

The entropy of fusion for many drugs and molecules of intermediate size can be estimated in the following manner: (1) for rigid molecules, ΔS, 13.5 eu; (2) for long chain derivatives of such molecules, AS, 13.5 ± 2.5(n - 5) eu, where n is the number of flexible links in the chain. In most cases, these simple rules will provide an estimate of AS, which is sufficiently accurate to obtain reasonable estimates of ideal solubility. © 1979, American Chemical Society. All rights reserved.