Correlation of Boiling Points with Molecular Structure for Chlorofluoroethanes

1998 ◽  
Vol 38 (2) ◽  
pp. 158-164 ◽  
Author(s):  
Terry S. Carlton
Keyword(s):  
Molecular Structure ◽  
Boiling Points

scholarly journals Dipole moments and molecular structure. Part III.—The oxychlorides of sulphur

1932 ◽  
Vol 138 (834) ◽  
pp. 154-161 ◽  
Keyword(s):  
Molecular Structure ◽  
Thionyl Chloride ◽  
Dipole Moments ◽  
Inorganic Compounds ◽  
Dilute Solution ◽  
Gaseous State ◽  
Electron Pairs ◽  
Boiling Points ◽  
The Relationship ◽  
Polarisation Measurements

The work described here forms part of a study of the dipole moments of simple inorganic compounds. Polarisation measurements upon thionyl chloride and sulphuryl chloride appeared to be of particular interest in view of the fact that in these compounds the oxygen-sulphur linkages must be in the nature of semi-polar double bonds, since both members of the electron pairs concerned in these linkages come from the sulphur atoms, thus: where, O and × represent electrons derived originally from the oxygen, sulphur, and chlorine atoms respectively. Consequently, it would be anticipated that these compounds might show relatively large dipole moments, and would also possess a considerable atomic polarisation. (A communication concerning the relationship between atomic polarisation and molecular structure is being published shortly.) No previous measurements of the polarisations of these compounds, either in the gaseous state or in dilute solution, appear to have been recorded. Materials . The thionyl chloride and sulphuryl chloride were prepared by fractionating the “pure” commercial products several times. The boiling points of the materials thus produced were 77° C. and 70° C. respectively. The benzene was purified as described in Part II of this series, and was dried over successive quantities of sodium wire until the latter retained its metallic lustre.

scholarly journals Computational Analysis of Imbalance-Based Irregularity Indices of Boron Nanotubes

Processes ◽  
2019 ◽  
Vol 7 (10) ◽  
pp. 678
Author(s):  
Yang ◽  
Munir ◽  
Rafique ◽  
Ahmad ◽  
Liu
Keyword(s):  
Molecular Structure ◽  
Statistical Analysis ◽  
Complex Networks ◽  
Computational Analysis ◽  
Chemical Properties ◽  
Molecular Topology ◽  
Topological Properties ◽  
Boiling Points ◽  
Boron Nanotube ◽  
Heats Of Vaporization

. Molecular topology provides a basis for the correlation of physical as well as chemical properties of a certain molecule. Irregularity indices are used as functions in the statistical analysis of the topological properties of certain molecular graphs and complex networks, and hence help us to correlate properties like enthalpy, heats of vaporization, and boiling points etc. with the molecular structure. In this article we are interested in formulating closed forms of imbalance-based irregularity measures of boron nanotubes. These tubes are known as α-boron nanotube, triangular boron nanotubes, and tri-hexagonal boron nanotubes. We also compare our results graphically and come up with the conclusion that alpha boron tubes are the most irregular with respect to most of the irregularity indices.

Prediction of boiling points of alcohols from molecular structure

1990 ◽  
Vol 233 ◽  
pp. 111-119 ◽  
Author(s):  
Frank C. Smeeks ◽  
Peter C. Jurs
Keyword(s):  
Molecular Structure ◽  
Boiling Points

Estimation of normal boiling points of hydrocarbons from descriptors of molecular structure

1999 ◽  
Vol 163 (1) ◽  
pp. 21-42 ◽  
Author(s):  
Georgi St. Cholakov ◽  
William A Wakeham ◽  
Roumiana P Stateva
Keyword(s):  
Molecular Structure ◽  
Boiling Points

scholarly journals The thermal conductivities of the saturated hydrocarbons in the gaseous state

1931 ◽  
Vol 134 (823) ◽  
pp. 77-96 ◽  
Keyword(s):  
Molecular Structure ◽  
Saturated Hydrocarbons ◽  
Gaseous State ◽  
Temperature Coefficients ◽  
Boiling Points ◽  
The Subject ◽  
Thermal Conductivities

The purpose of the present research has been to investigate the bearing of molecular structure on the thermal conductivities of the gaseous saturated hydrocarbons. The first four members of this family of hydrocarbons, namely, methane, ethane, propane and butane, having conveniently low boiling points, were chosen as the subject of the research. In view of the results obtained for these gases, further experiments were carried out, using n -pentane and n -hexane. The thermal conductivities of methane, ethane, n -pentane and n -hexane have been previously determined, and their values, together with the values obtained for the temperature coefficients and the names of the investigators, are shown below.

Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics

1996 ◽  
Vol 100 (24) ◽  
pp. 10400-10407 ◽  
Author(s):  
Alan R. Katritzky ◽  
Lan Mu ◽  
Victor S. Lobanov ◽  
Mati Karelson
Keyword(s):  
Molecular Structure ◽  
Training Set ◽  
Test Set ◽  
Boiling Points
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