QSPR Analysis On Octane Isomers Using Degree-Based Topological Indices?

Title

QSPR Analysis On Octane Isomers Using Degree-Based Topological Indices?

Creator

Glory C.; Nanjappa M.

Description

Octane isomers are structures with the chemical formula C8H18. Despite having the same formula, they have variations in the way their atoms are arranged, leading to differences in their chemical and physical properties. In this paper, we conduct a QSPR analysis on various isomers of octane, focusing on specific degree-based topological indices. In QSPR studies, these measures, known as topological indices, are helpful in understanding and quantifying the biological effects of chemical compounds. We specifically look at how certain properties of octane, such as complexity, acentric factor, standard enthalpy of vaporization, entropy, and enthalpy of vaporization, are connected to these topological indices. Our research provides valuable insights into how these indices can predict the behavior of octane isomers, contributing to a better overall understanding of their properties. 2024, Tsing Hua University. All rights reserved.

Source

Applied Mathematics E - Notes , Vol-24, pp. 399-410.

Date

2024-01-01

Publisher

Tsing Hua University

Coverage

Glory C., Department of School of Sciences, CHRIST University, Ghaziabad, 201003, India; Nanjappa M., Department of Sciences and Humanities, School of Engineering and Technology, CHRIST University, Bangalore, 560074, India

Rights

Restricted Access

Relation

ISSN: 16072510

Format

Online

Language

English

Type

Article

Identifier

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85205285028&partnerID=40&md5=b7ee0fd943f707dd78d239eeba3672a1