Thermochemistry of anticancer active molecules: Enthalpies of solution, solvation, and sublimation/vaporization for phenyl acetate and para substituted phenyl benzoate compounds

Abstract

The solution, solvation, and evaporation enthalpies of phenyl esters indicate the stability and quality of the molecules. Therefore, the phase-transition enthalpies of the phenyl esters evaluate molecular activity, efficiency, and stability. In this work, solution, solvation, and sublimation/vaporization enthalpies for para-substituted phenyl esters were determined using adiabatic solution calorimetry at 298.15 K. For the first time, the solution enthalpy of the phenyl esters was determined in benzene. The enthalpy of solvation was estimated using an additive scheme approach, the Abraham model, molar refraction, and solution calorimetry at standard temperature. In addition, we predicted solvation enthalpy values for the ethyl, propyl, and butyl groups in the phenyl ester compounds for the first time. Additionally, the solution and evaporation enthalpy measurements had the lowest standard deviations. Moreover, the values of evaporation enthalpy of the compounds in this work were discussed in comparison with those literature data.

KEY WORDS: Evaporation enthalpy, Solvation enthalpy, Solution calorimetry, Phenyl Ester

Bull. Chem. Soc. Ethiop. 2027, 41(1), 191-206.     

DOI: https://dx.doi.org/10.4314/bcse.v41i1.13