Journal of the Chemical Society, Perkin Transactions 2

Thermodynamic, spectroscopic, and density functional theory studies of allyl aryl and prop-1-enyl aryl ethers. Part 1. Thermodynamic data of isomerization

E Taskinen

Index: Taskinen, Esko Journal of the Chemical Society. Perkin Transactions 2, 2001 , # 9 p. 1824 - 1834

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Citation Number: 1

Abstract

A chemical equilibration study of the relative thermodynamic stabilities of seventy isomeric allyl aryl ethers (a) and (Z)-prop-1-enyl aryl ethers (b) in DMSO solution has been carried out. From the variation of the equilibrium constant with temperature the Gibbs energies, enthalpies, and entropies of isomerization at 298.15 K have been evaluated. Because of their low enthalpies, the (Z)-prop-1-enyl aryl ethers are strongly favored at equilibrium, the ...

~58%

~56%

~79%

~72%

~78%

~24%

~69%

~62%

~85%

~63%

~46%

~51%

~46%

~91%

~68%

~60%

~69%

~99%

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