The influence of alkyl chain length and solvents on two liquid crystalline materials, p-n-butylbenzoic acid (4BAC), and p-n-pentylbenzoic acid (5BAC) has been carried out with respect to the translational and orientational motions. The atomic net charge and dipole moment components at each atomic center have been evaluated using the complete neglect differential overlap (CNDO/2) method. The modified Rayleigh-Schrodinger Perturbation theory with the multicentered-multipole expansion method has been employed to evaluate the long-range interactions, and a "6-exp." potential function has been assumed for the short-range interactions. The minimum energy configurations obtained during the different modes of interactions have been taken as input to calculate the configurational probability using the Maxwell-Boltzmann formula in nonpolar organic solvents, i.e., carbon tetrachloride (CCl4), and chloroform (CHCl3) at room temperature 300K. It has been observed that the increase of alkyl chain length causes a minimization in the binding energy, and increases the total energy of 5BAC molecule. Further, the molecules produce remarkable property in the solvents.