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A group‐contribution correlation for predicting the acentric factors of organic compounds
Author(s) -
Han Buxing,
Peng DingYu
Publication year - 1993
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450710223
Subject(s) - acentric factor , correlation , group (periodic table) , novelty , group contribution method , biological system , chemistry , mathematics , materials science , computational chemistry , organic chemistry , crystallography , phase (matter) , psychology , geometry , biology , phase equilibrium , social psychology
A group‐contribution correlation has been developed for the estimation of the acentric factors of organic compounds. The novelty of the proposed method is that it involves the use of only the structural information of the compounds. For the 219 substances considered in this study, the calculated results deviate from the literature values by an average error of 4.2%.