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Description of Molcular Structure and Estimation of Normal Boiling Point for Aliphatic Hydrocarbons by Molecular Distance edge Vector

Xu Jiang

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Abstract

Molecular distance edge vector of aliphatic hydrocarbons including alkanes,alkenes and alkynes are defined and calculated. Quantitative structure property relationship on boiling point of 213 aliphatic hydrocarbons is proposed by multiple linear regression method. with a good result with mean squares error being RMS=4 22K and correlation coefficient being R=0 9974.

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What this paper is about

Molecular distance edge vector of aliphatic hydrocarbons including alkanes,alkenes and alkynes are defined and calculated. Quantitative structure property relationship on boiling point of 213 aliphatic hydrocarbons is proposed by multiple linear regression method. with a good result with mean squares error being RMS=4 22K and correlation coefficient being R=0 9974.

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Available abstract

Molecular distance edge vector of aliphatic hydrocarbons including alkanes,alkenes and alkynes are defined and calculated. Quantitative structure property relationship on boiling point of 213 aliphatic hydrocarbons is proposed by multiple linear regression method. with a good result with mean squares error being RMS=4 22K and correlation coefficient being R=0 9974.

Key concepts: Boiling point, Chemistry, Point (geometry), Boiling, Enhanced Data Rates for GSM Evolution, Linear regression, Least-squares function approximation, Mathematics

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