The molecular interactions between the polar systems propan-1-ol with alkyl benzoates (methyl benzoate and ethyl benzoate) for various mole fractions at different temperatures were studied by determining the dielectric permittivity using - LF impedance analyzer, microwave bench and Abbe’s refractometer in radio, microwave and optic frequency regions respectively. Dipole moment, excess dipole moment, excess Helmholtz free energy, excess permittivity, relaxation time, excess inverse relaxation time and excess thermodynamical values are calculated using experimental data. Hamiltonian quantum mechanical calculations are performed on both pure and equimolar binary systems of propan-1-ol with alkyl benzoates for the measurement of dipole moment using PC Spartan and Argus lab Modeling softwares and these theoretical values are in good agreement with the experimental values. These studies can give information on its structure and interaction.
Dipole moment, Excess Helmholtz frees energy, Relaxation time, Hamiltonian calculations