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A New Group Contribution Method for Estimating Critical Properties of Organic Compounds

A new division method of molecular structural units involving group adjacent atom pairs has been developed. Expressions for estimating critical properties T c , P c , and V c have been proposed, with the numerical values of relative structural unit parameters presented. The average percent deviations of estimation of the above three physical properties are 0.73, 2.47, and 1.41, respectively.