Quantitative structure-property relationship of standard entropy of alkanes
Huang Chang-you · Journal of Shandong University of Technology · 2007
1R,a new topological index based on nuclear magnetic resonance phenomenon,is defined in this paper.N means the number of carbon atom of alkane.It is discovered that the standard entropy of alkane correlates with 1R and N.So a equation is obtained.For the standard entropies of 157 alkanes,the calculated values are in excellent agreement with the experimental values.Therefore the standard entropy of alkane will be estimated and predicted by the equation.