Abstract
Based on its predictive power as a molecular descriptor, the bond-valence substituent index (BVSI) and its square root were characterized by using linear and quadratic correlation models with eight representative physical properties (boiling point, molar volume, molar refraction, heat of vaporization, surface tension, and melting point) of 74 alkanes from ethane to nonanes. The BVSI was also modelled with around 67 alkanes from butanes to nonanes by linear correlation to compare it with published data obtained from ten degree-based topological indices, which included the Randić index. The study showed that BVSI was the best topological index among those studied, predicting most accurately the boiling point and the molar refraction. The index also predicted the molar volume, critical temperature, and pressure better than the other indices placing it under the category of “very useful” molecular descriptor for potential QSPR/QSAR studies.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
