The QSPR study of butane derivatives: (A mathematical approach)

Title

The QSPR study of butane derivatives: (A mathematical approach)

Creator

Asok A.; Kureethara J.V.

Description

The QSPR analysis provides a significant structural insight into the physiochemical properties of butane derivatives. We study some physiochemical properties of fourteen butane derivatives and develop a QSPR model using four topological indices and butane derivatives. Here we analyze how closely the topological indices are related to the physiochemical properties of butane derivatives. For this we compute analytically the topological indices of butane derivatives and plot the graphs between each of these topological indices to the properties of butane derivatives using Origin. This QSPR model exhibits a close correlation between Heavy atomic count, Complexity, Hydrogen bond acceptor count, and Surface tension of butane derivatives with the Redefined first Zagreb index, the Redefined third Zagreb index, the Sum connectivity index and the Reformulated first Zagreb index, respectively. 2018 Oriental Scientific Publishing Company. All Rights Reserved.

Source

Oriental Journal of Chemistry, Vol-34, No. 4, pp. 1842-1846.

Date

2018-01-01

Publisher

Oriental Scientific Publishing Company

Subject

Butane; Molecular Descriptor; QSPR; Redefined first Zagreb index; Redefined third Zagreb index; Reformulated first Zagreb index; Sum connectivity index; Topological Index

Coverage

Asok A., CHRIST (Deemed to be University), Bangalore, India; Kureethara J.V., CHRIST (Deemed to be University), Bangalore, India

Rights

All Open Access; Gold Open Access; Green Open Access

Relation

ISSN: 0970020X; CODEN: OJCHE

Format

Online

Language

English

Type

Article

Identifier

https://doi.org/10.13005/ojc/3404018

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85053115141&doi=10.13005%2fojc%2f3404018&partnerID=40&md5=943ea702ed03e3e90d6299937bb894f4