MODELING BOILING POINTS OF ALKANE DERIVATIVES

Authors

  • Esmat MOHAMMADINASAB Department of Chemistry, Faculty of Sciences, Islamic Azad University, Arak Branch, Arak, Iran. Email: e-mohammadinasab@iau-arak.ac.ir. https://orcid.org/0000-0002-8271-4108

DOI:

https://doi.org/10.24193/subbchem.2017.1.12

Keywords:

Graph theory, MLR method, Alkane Derivatives.

Abstract

Relationship between the boiling points of a series of alkanes and some topological indices and geometrical descriptors is investigated using the multi linear regression MLR method. The results revealed that Wiener, Randić and volume descriptors play a more important role in the description of boiling points of alkanes, in comparison to other molecular descriptors.

References

A. Arora, "Hydrocarbons, Alkanes, Alkens and Alkynes", Discovery Publishing House, 2006.

L. Blaha, J. Damborsky, M. Nemec, Chemosphere, 1998, 36(6), 1345.

N. Trinajstic, I. Gutman, Croatica Chemica Acta, 2002, 75, 329.

N. Gutman, Trinajstic, Chemical Physics Letters, 1972, 17, 535.

I. Gutman, B. Furtula (eds), "Novel molecular structure descriptors-theory and applications I and II", Univ. Kragujevac, 2010, 3.

I. Gutman, B. Ruscic, N. Trinajstic, C.F. Wicox, Journal of Chemical Physics, 1975, 62, 3399.

E. Mohammadinasab, and M. Goodarzi, Fullerenes, Nanotubes, and Carbon Nanostructures, 2011, 19, 550.

A.A. Taherpour, E. Mohammadinasab, Fullerenes, Nanotubes and Carbon Nanostructures, 2010, 18, 76.

M. Monajjemi, E. Mohammadinasab, F. Shafiei, Journal Physical&Theoretical Chemistry, 2009, 6, 125.

M. Goodarzi, E. Mohammadinasab, Fullerenes, Nanotubes and Carbon Nanostructures, 2013, 21, 102.

H. Wiener, Journal of American Chemical Society, 1947, 69, 17.

M. Randić, Chemical Physics Letters, 1993, 211, 478.

G. Cash, S. Klavzar, M. Petkovsek, Journal Chemical Information and Computer Science, 2002, 42, 571.

A.T. Balaban, Chemical Physics Letters, 1982, 89(5), 399.

M. Randic, Journal American Chemical Society, 1975, 23, 6606.

D. Plavsic, S. Nikolic, N. Trinajstic and Z. Mihalic, Journal of Mathematical Chemistry, 1993, 12(1), 235.

O. Ivanciuc, T.S. Balaban, abd A.T. Balaban, Journal of Mathematical Chemistry, 1993, 12, 309.

D. Ciubotariu, "Structură-reactivitate în clasa derivaţilor acidului carbonic", PhD Thesis, Timisoara, Romania, 1987.

D. Ciubotariu, M. Medeleanu, V. Vlaia, T. Olariu, C. Ciubotariu, D. Dragos and C. Seiman (2004) Molecules, 2004, 9, 1053.

Web search engine developed by ChemAxon; software available at http://www.Chemicalize.Org.

Downloads

Published

2017-03-30

How to Cite

MOHAMMADINASAB, E. . (2017). MODELING BOILING POINTS OF ALKANE DERIVATIVES. Studia Universitatis Babeș-Bolyai Chemia, 62(1), 143–152. https://doi.org/10.24193/subbchem.2017.1.12

Issue

Section

Articles

Similar Articles

1 2 3 4 5 6 7 8 9 10 > >> 

You may also start an advanced similarity search for this article.