Application of the Tosha Index in QSPR Modeling of Lower Alkanes

Abstract

In this article, a Quantitative Structure-Property Relationship (QSPR) analysis was performed to show that the Tosha index is an effective molecular descriptor for predicting the physicochemical properties of lower alkanes. Logarithmic regression models were employed to establish quantitative correlations between the Tosha index and various physical properties of lower alkanes, including boiling points $(bp)~^\circ C$, molar volumes $(mv)~\mathrm{cm}^3$, molar refractions $(mr)~\mathrm{cm}^3$, heats of vaporisation $(hv)~\mathrm{kJ}$, critical temperatures $(ct)~^\circ C$, critical pressures $(cp)~\mathrm{atm}$, and surface tensions $(st)~\mathrm{dyne}~\mathrm{cm}^{-1}$. The analysis shows that the Tosha index is a reliable and statistically significant predictive framework for these compounds. This emphasizes its potential applications in theoretical chemistry and molecular property estimation. Overall, the study emphasizes the significance of graph-theoretical indices in cheminformatics and encourages the creation of effective predictive models for simple hydrocarbon systems such as lower alkanes.