Dielectric constant (ε) for pentane substituted, using quantitative structure-property relationship (QSPR) techniques
Other Title(s)
التنبأ بخواص ثابت العزل الكهربائي للبنتان المعوض باستخدام تقنية العلاقة التركيب-الخاصية الكمية
Joint Authors
Radi, Wasim Abd al-Hasan
Husayn, Kawkab Ali
Ismail, Sadiq Muhammad Hasan
Source
Iraqi National Journal of Chemistry
Issue
Vol. 15, Issue 3 (30 Sep. 2015), pp.242-255, 14 p.
Publisher
University of Babylon College of Sciences
Publication Date
2015-09-30
Country of Publication
Iraq
No. of Pages
14
Main Subjects
Abstract EN
Quantitative Structure–Property Relationship (QSPR) models based on molecular descriptors derived from molecular structures have been used for the prediction for computed the dielectric constant (ε) of pentane substituted.
QSPR model includes some Molecular descriptors, regression quality indicates that these descriptors provide valuable information and have significant role in the assessment of the dielectric constant of compounds understudy.
four QSPR equation for the prediction of dielectric constant have been drawn up by using the multiple regression technique.
(Eqs 1-4) with the values of R2 range from 0.862-0.969, Ra2 range from 0.702-0.923, Q2 range from 0.86-0.93 and the values of S range from 0.989-0.488, while the values of F range from 75.127-172.796.
The results show excellent model by Eq 3.
with high of R2, Ra2, F and minimum S by using five parameters [D.M and T.E], was found and indicate that these parameters have important role in determining the properties of dielectric constant .
this result encourages the application of QSPR to a wider selection of compounds properties and to other classes of compounds, including industrial, biopolymers.
American Psychological Association (APA)
Husayn, Kawkab Ali& Ismail, Sadiq Muhammad Hasan& Radi, Wasim Abd al-Hasan. 2015. Dielectric constant (ε) for pentane substituted, using quantitative structure-property relationship (QSPR) techniques. Iraqi National Journal of Chemistry،Vol. 15, no. 3, pp.242-255.
https://search.emarefa.net/detail/BIM-708553
Modern Language Association (MLA)
Husayn, Kawkab Ali…[et al.]. Dielectric constant (ε) for pentane substituted, using quantitative structure-property relationship (QSPR) techniques. Iraqi National Journal of Chemistry Vol. 15, no. 3 (2015), pp.242-255.
https://search.emarefa.net/detail/BIM-708553
American Medical Association (AMA)
Husayn, Kawkab Ali& Ismail, Sadiq Muhammad Hasan& Radi, Wasim Abd al-Hasan. Dielectric constant (ε) for pentane substituted, using quantitative structure-property relationship (QSPR) techniques. Iraqi National Journal of Chemistry. 2015. Vol. 15, no. 3, pp.242-255.
https://search.emarefa.net/detail/BIM-708553
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 253-254
Record ID
BIM-708553