Correlation between topological features and molar volumes of n-alkanes and excess volumes of their binary mixtures

Abstract

Molar volumes, v of n-alkanes have been correlated with connectivity parameters ¹χ and ³χ as v=A/³χ+B¹χ+C. A general equation for molar volume of n-alkanes, valid over a wide range of temperature, is also derived. Densities and thermal expansion coefficients of polymethylenes have also been calculated. Excess molar volumes, V^E, of the binary mixtures of n-alkanes are given by the equation: VE =–Ax₁x₂{(³X₂–³X₁)²//_{³X1³X2[³X1+X2(³X2–³X1)]}}. The calculated values of V^E have been found in very good agreement with the experimental values for binary mixtures containing n-alkanes of different chain lengths.