Molecular topological research on boiling point of alkanes
Huang Chang-you · jOURNAL OF southwest University for Nationalities · 2006
A novel topological index Ω based on the phenomenon of nuclear magnetic resonance is derived in this paper.Then the regression equation is set up with boiling point T andΩ:ln(955-T)=6.822-0.07Ω;R=0.999,S=0.0066647,F=36656.45,n=85.The calculated values are in excellent agreement with the experimental values.The result suggests that topological index Ω has good high correlation ability and structural selectivity.