Browsing by Endpoint "1. Physical Chemical Properties 1.2. Boiling point"

Showing items 1-3 of 3

Abooali, D.; Sobati, M. A. Novel method for prediction of normal boiling point and enthalpy of vaporization at normal boiling point of pure refrigerants: A QSPR approach. Int. J. Refrig. 2014, 40, 282–293.

Published: Geven Piir (2014-12-12)

Abstract: In the present study, new quantitative structureeproperty relationships (QSPR) were presented to predict the normal boiling point (Tb), and enthalpy of vaporization of pure refrigerants at Tb (ΔHvb ). For developing these models, the experimental data of Tb for 192 pure components and the experimental data of ΔHvb for 180 pure components were used. For each ...

PhysChem Regression
Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 6, 1337–1348.

Published: Geven Piir (2014-10-30)

Abstract: Several quantitative structure−property relationship (QSPR) models between 15 basic physical properties or thermodynamic functions of alkanes and their molecular electronegative distance vectors (MEDV) are developed. For six of the properties boiling point (BP), density (D) at 25 °C, refraction index (RI) at 25 °C, critical temperature (CT), critical pressure ...

PhysChem Regression
Tetteh, J.; Suzuki, T.; Metcalfe, E.; Howells, S. Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network. J. Chem. Inf. Model. 1999, 39, 491-507.

Published: Priit Ahte (2015-05-28)

Abstract: Radial basis function (RBF) neural network models for the simultaneous estimation of flash point (Tf) and boiling point (Tb) based on 25 molecular functional groups and their first-order molecular connectivity index (1χ) have been developed. The success of the whole modeling process depended on a network optimization strategy based on biharmonic spline ...

PhysChem Regression

Showing items 1-3 of 3

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

Browsing by Endpoint "1. Physical Chemical Properties 1.2. Boiling point"

QsarDB Repository

Browsing by Endpoint "1. Physical Chemical Properties 1.2. Boiling point"

Search

Browse

All of QsarDB

My Account