The polarizable continuum model (PCM) is employed to investigate theoretically the solvation of three heterocyclic compounds containing halogens. The PCM analysis has been carried out for (3-(4-Bromophenyl) isoxazol-5-yl) methanol, (3-(3- fluorophenyl) isoxazol-5-yl) methanol and (3-(3-Chlorophenyl) isoxazol-5-yl) methanol in ten solvents with wide range of dielectric constants. In this paper, we report the results obtained in the computation of electrostatic interaction, repulsive component of Gibb's free energy of solvation, cavitation enthalpy and entropy of salvation for the three isoxazols in various solvents. The induced dipole moments of these three isoxazols are also calculated in these solvents. The thermodynamic properties of the systems, such as free energies, electrostatic interaction, cavitation enthalpy and dipole moment are discussed in terms of the physical properties such as dielectric constant, index of refraction, surface tension and molecular size of the solvents.