Thermodynamics of Ethyl Decanoate

Abstract

The heat capacity of ethyl decanoate in the interval of (5 to 370) K was measured in an adiabatic calorimeter. The triple-point temperature Tfus = (253.60 ± 0.02) K and the enthalpy of fusion ΔcrliqHm° = (32.29 ± 0.04) kJ·mol−1 were determined. The vapor pressure over liquid ethyl decanoate in the interval of (294 to 323) K was measured by the Knudsen method. The calorimetric enthalpy of vaporization ΔliqgHm°(304.8 K) = (69.9 ± 0.7) kJ·mol−1 was determined in an MID-200 Calvet-type microcalorimeter. The standard enthalpy of formation for liquid ethyl decanoate at 298.15 K ΔfHm°(liq) = (−682.7 ± 2.4) kJ·mol−1 was determined in a static bomb combustion calorimeter. From these data, the standard enthalpy of formation for gaseous ethyl decanoate was evaluated to be ΔfHm°(g) = (−612.2 ± 2.4) kJ·mol−1. The formation enthalpy was also calculated using quantum chemical methods via homodesmic reactions at different theory levels. The results are in excellent agreement with the experimental value.