Estimation of Entropies of Fusion of Organic Compounds

Samuel H. Yalkowsky

doi:10.1021/i160070a003

Estimation of Entropies of Fusion of Organic Compounds

Samuel H. Yalkowsky

Research output: Contribution to journal › Article › peer-review

169 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	108-111
Number of pages	4
Journal	Industrial and Engineering Chemistry Fundamentals
Volume	18
Issue number	2
DOIs	https://doi.org/10.1021/i160070a003
State	Published - May 1 1979
Externally published	Yes

ASJC Scopus subject areas

General Engineering

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abstract = "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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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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Estimation of Entropies of Fusion of Organic Compounds

Abstract

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