Estimation of boiling and melting points of light,heavy and complex hydrocarbons by means of a modified group vector space method |
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| Institution: | 1. College of Life Sciences, Ritsumeikan University, and Molecular Design Frontier Co. Ltd., Kusatsu, Shiga 525–8577, Japan;2. Department of Physics and Institute for Soft and Bio Sciences, Changwon National University, Changwon 641–773, South Korea |
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| Abstract: | A modified group vector space (GVS) method was developed for estimating the normal boiling points and melting points of alkanes, alkenes, alkynes, and cyclic and aromatic hydrocarbons including their isomers. The present method, based on group contributions as well as topological contributions, can represent the normal boiling points of isomeric compounds accurately. The group parameters for the modified GVS method were obtained from the correlation of the boiling and melting points of 1115 hydrocarbons. |
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