It has been shown by means of the DFT calculations that the surface tension of various organic near-boiling liquids, whose molecules possess the pi sigma -hyperconjugation between their pi-electronic systems and the antibonding sigma-type molecular orbitals of methyl groups depends linearly on the specific molecular parameter of these liquids which includes the one-particle binding energy as a multiplier. This energy is proportional to both the sum of all pz- and sigma-orbitals taking part in the one-particle pi sigma-hyperconjugation phenomenon and the energy Eorb of the occupied molecular orbital which enters the surface supramolecular electron pi sigma-system. The found linear regression equation allows one to calculate the surface tension of the above liquids basing on the DFT calculations.