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Energetics of substituent effects on the benzene ring: CH.sub.3O with F, Cl, Br, and I
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Energetics of substituent effects on the benzene ring: CH.sub.3O with F, Cl, Br, and I
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Journal Article
Energetics of substituent effects on the benzene ring: CH.sub.3O with F, Cl, Br, and I
2023
Overview
The temperature dependences of vapour pressures for some mono- and di-halogenated anisoles were established using the transpiration method. The solution calorimetry-based approach was used to determine the vaporization/sublimation enthalpies of chlorine- and iodine-substituted anisoles. The enthalpies of fusion of 2,3-di-chloro-anisole and 4-iodo-anisole were measured using differential scanning calorimetry. The literature thermochemical data for halogen-substituted anisoles (with halogen = F, Cl, Br, and I) and new results were evaluated using \"structure-property\" correlations and quantum-chemical calculations. The G* quantum chemical methods were validated for reliable estimation of the enthalpies of formation of substituted for halogen-substituted anisoles in the gaseous state. The evaluated thermodynamic data were used for designing the \"centrepiece\" method for assessment of enthalpies of vaporization and enthalpies of formation for halogen-substituted anisoles.
Publisher
Springer
Subject
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