Abstract
Chemical equilibrium was investigated for the quaternary system consisting of hexanol, acrylic acid, hexyl acrylate, and water. The equilibrium mole fractions, equilibrium conversions, and equilibrium constants at 338, 348, and 358 K were calculated. The activity coefficients were estimated using UNIQUAC method to account for the nonideal thermodynamic behavior. The heat of formation of hexyl acrylate was found to be −449.59 kJ/mol from equilibrium experiments. Also, three estimation methods for the calculation of the enthalpy of formation of hexyl acrylate are determined and compared with the experimental results. All methods are based on group or bond contribution. The Joback method was found to be more accurate in predicting the actual values of the enthalpy of formation of hexyl acrylate.
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