A new method based on elements and chemical bonds for organic compounds critical properties estimation

A new method based on elements and chemical bonds was proposed to estimate the critical properties of organic compounds. Three equations were established using this method. New elements and chemical bonds groups are defined by considering the structure of organic compounds. The values of elements and chemical bonds groups of compounds containing carbon, hydrogen, oxygen, nitrogen, chlorine, and sulfur were obtained though regression calculation. The average relative deviation for prediction critical properties were compared with that were from the proposed method, the Joback-Reid, Constantinou-Gani and our group methods. The proposed method provided a new and easy approach for estimation critical properties of organic compounds through defining of the new elements and chemical bonds groups and exhibited a very satisfactory accuracy. Furthermore, the new method can also estimate the critical properties of compounds containing silicon.