QSPR Evaluation of Enthalpies of Vaporization of Acyclic Esters

A topological representation of a molecule can be carried out through molecular graph. Thedescriptors are numerical values associated with chemical constitution for correlation ofchemical structure with various physical properties, chemical reactivity or biological activity.A topological index is the graph invariant number calculated from a graph representing amolecule.In this study the relationship analysis between enthalpies of vaporization   mol vapJ H o /  andtopological indices,Randic(1X),Balaban(J),Wiener(W),Hyper Wiener(WW),Wiener Polarity(Wp) and Harary(H) were done by MLR analysis. The QSPR approach has been widely usedin the prediction of physical and chemical properties of organic compounds [1,2]. QSPR isbased on the assumption that the properties of a compound are ultimately determined by itsmolecular structure. Accordingly, the QSPR approach attempts to establish simplemathematical relationships to describe the correlation of a given property to molecularstructures for a set of compounds. Several studies are done to investigations regarding therelationship between thermodynamic properties of other organic compounds and molecularstructure descriptors [3-5].