Study on QSPR Method for Theoretical Calculation of Boiling Point of Some organic Compounds

Authors

  • Kamal Raj Sapkota Department of Chemistry, Prithvi Narayan Campus, Tribhuvan University

DOI:

https://doi.org/10.3126/hj.v3i0.7316

Keywords:

QSPR, Boiling point, Organic compounds

Abstract

Quantitative structure-property relationship (QSPR) models based on molecular descriptors derived from molecular structures have been developed for the prediction of boiling point using a set of 25 organic compounds. The molecular descriptors used to represent molecular structure include topological indices and constitutional descriptors. Forward stepwise regression was used to construct the QSPR models. Multiple linear regressions is utilized to construct the linear prediction model. The prediction result agrees well with the experimental value of these properties.

The Himalayan Physics
Vol. 3, No. 3, July 2012
Page: 93-95

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Published

2013-01-01

How to Cite

Sapkota, K. R. (2013). Study on QSPR Method for Theoretical Calculation of Boiling Point of Some organic Compounds. Himalayan Physics, 3, 93–95. https://doi.org/10.3126/hj.v3i0.7316

Issue

Vol. 3 (2012)

Section

Articles

License

The articles published in the Himalayan Physics are distributed under a license CC BY-NC-SA 4.0.