An accurate model for the prediction of the glass transition temperature of ammonium based ionic liquids: A QSPR approach

Glass transition temperature is one of the main criteria for the assessment of the potential electrolyte options. In this study, the attention is focused to develop a model to predict this property for ammonium based ionic liquids with the aid of Quantitative Structure–Property Relationship (QSPR) method. elop a model, the contribution of the both anion and cation parts are considered. This would help to study the effect of structural variation of both ionic segments on the desired physical property. c Function Approximation is applied for modelʹs parameter selection (molecular descriptors) and its development. Consequently, a simple linear predictive model with satisfactory results quantified by the following statistical parameters: absolute average deviations (AAD) of the predicted properties from existing experimental values by the GFA linear equation: 1.98%, linear correlation coefficient squared (R2): 0.9657 and Root Mean Square: 4.3 K.