Prediction of the acentric factor of some halogenated hydrocarbons via group contribution techniques

Charles Otobrise; Godwin  Eferurhobo

doi:10.46481/jnsps.2024.2119

Authors

Charles Otobrise
otobrisec@delsu.edu.ng
Department of Chemistry, Delta State University, P.M.B.1, Abraka, Nigeria
Godwin Eferurhobo Department of Chemistry, Delta State University, P.M.B.1, Abraka, Nigeria

Abstract

In this study, trends in the prediction of acentric factors of halogenated alkanes (HAs) were investigated using two group contribution techniques. The examination of discrepancies between predicted and experimental values for both methods served to delineate the precision and constraints of these prediction techniques. It was observed that while predictions for certain compounds conformed closely to experimental data, others manifested substantial deviations, thereby accentuating the intricacies inherent in predicting acentric factors. The discourse extended to practical implications for applications within the realm of engineering, particularly emphasizing the imperative for the refinement of methods and the conduct of comparative analyses to enrich predictive accuracy. The academic contributions of this investigation are notable for the advancement of predictive methodologies over traditional laboratory procedures in addressing environmental concerns associated with halogenated hydrocarbons.

Dimensions

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