THE TOPOLOGICAL INDICES AND PHYSICAL PROPERTIES OF n-HEPTANE ISOMERS

In chemistry the structural characteristics of a molecule are responsible for its properties. Topological indices have important role in theoretical chemistry. Topological index is a numerical value associated with chemical constitution for correlation of chemical structure with various physical properties. In this study, some physical and chemical properties as Acentric factor (Acen fac), Entropy (S), Enthalpy of vaporization (HVAP) and Standard enthalpy of vaporisation (DHVAP), Density (ρ) , Boiling point (bp), Refractive index have been Appeared. The Topological Indices: Wiener Numbers (W), Hosoya Indices (Z), Randic Indices (χ), Balaban Indices (J), Harary Numbers (H) of n-heptane isomers have been used. The topological indices are used in QSPR/QSAR studies to modeling physic-chemical properties of molecules. The correlation coefficients and regression equations among the physical Properties and topological indices of n- heptane isomers is studied. We have also studied multiple correlation coefficients (Multiple R), Analysis of variance (ANOVA), and multiple linear regression (Y). Keywords: Topological indices, physical properties, regression analysis, Isomers