TY - JOUR
T1 - Estimation of Entropies of Fusion of Organic Compounds
AU - Yalkowsky, Samuel H.
PY - 1979/5/1
Y1 - 1979/5/1
N2 - 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.
AB - 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.
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U2 - 10.1021/i160070a003
DO - 10.1021/i160070a003
M3 - Article
AN - SCOPUS:0018468531
SN - 0019-7874
VL - 18
SP - 108
EP - 111
JO - Industrial & Engineering Chemistry, Fundamentals
JF - Industrial & Engineering Chemistry, Fundamentals
IS - 2
ER -