Composite group vector space method for estimating melting and boiling point of pure organic compound |
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| Authors: | Wenying Wei Zhen Wang Yanhua Yin Jinyu Han Wen Xu |
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| Affiliation: | (1) Key Laboratory for Green Chemical Technology of State Education Ministry, School of Chemical Engineering & Technology, Tianjin University, Tianjin, 300072, P.R.China;(2) The 718 Research Institute of CSIC, HanDan, 056027, P.R.China |
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| Abstract: | Composition Group Vector Space (CGVS) method for estimating melting and boiling point T
m
, T
b
of organic compound has been proposed, and the principle of this method has been elucidated. The models for estimating T
m
, T
b
have been established and the numerical values of relative parameters have been presented. The average percentage deviations
of T
m
, T
b
estimation are 7.53 and 1.58, respectively, which show that the present method demonstrates significant improvement in applicability
to predict the above properties, compared to conventional group methods. |
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| Keywords: | Composition Group Vector Space Pure Organic Compound Melting Boiling Boiling Point Estimation |
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