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8363775 
Journal Article 
Prediction of the Boiling Point, Heat of Vaporization, and Vapor Pressure at Various Temperatures for Polycyclic Aromatic Hydrocarbons 
White, CM 
1986 
Yes 
Journal of Chemical and Engineering Data
ISSN: 0021-9568
EISSN: 1520-5134 
31 
2 
198-203 
English 
The linear relationship between retention Index and normal boiling point is defined for 48 planar polycyclic aromatic hydrocarbons (PAH) and is used to predict (with a standard error of estimate of 6.78 K) the boiling points of 66 other planar PAH. The average percent deviation between the predicted and literature values of the boiling points is 0.68. The heats of vaporization, ΔHv, of these PAH are predicted by employing Trouton’s rule. The average percent deviation between predicted and experimental ΔHv is 5.1. The quality of these predictions is Illustrated by using the boiling point and heat of vaporization Information to predict the vapor pressures of naphthalene, 1-methylnaphthalene, phenanthrene, and fluorene using the Clauslus-Clapeyron equation. These predicted vapor pressures were compared with experimental values. Lastly, the linear relationships between first-order valence molecular connectivity (1xva molecular topological descriptor) and boiling point and ΔHv of PAH are illustrated. It is shown that 1xvcan be used to predict boiling point and ΔWv of PAH. Reasons for the linear relationship between planar PAH physicochemical properties and 1xvare proposed. © 1986, American Chemical Society. All rights reserved.