Boiling point, normal calculation methods

When the boiling point is measured at a pressure other than normal atmospheric, the normal boiling point can be calculated by a method described in article 4.1.3.4. 

Maxwell and Bonnel (1955) proposed a method to calculate the vapor pressure of pure hydrocarbons or petroleum fractions whose normal boiling point and specific gravity are known. It is iterative if the boiling point is greater than 366.5 K ... 

Basic pure component constants required to characterize components or mixtures for calculation of other properties include the melting point, normal boiling point, critical temperature, critical pressure, critical volume, critical compressibihty factor, acentric factor, and several other characterization properties. This section details for each propeidy the method of calculation for an accurate technique of prediction for each category of compound, and it references other accurate techniques for which space is not available for inclusion. 

When criticals cannot he estimated with reasonable accuracy, the method of Maxwell and BonnelP is recommended. The normal boiling point and the specific gravity at 60 F (15.5 C) are required inputs. According to what vapor pressure range is expected, the vapor pressure is calculated from Eqs. (2-34), (2-35), or (2-36). If the wrong range is selected, the procedure will need to be repeated. 

From the viewpoint of developing quantitative correlations it is desirable to seek a linear relationship between descriptor and property, but a nonlinear or curvilinear relationship is adequate for illustrating relationships and interpolating purposes. In this handbook we have elected to use the simple descriptor of molar volume at the normal boiling point as estimated by the Le Bas method (Reid et al. 1987). This parameter is very easily calculated and proves to be adequate for the present purposes of plotting property versus relationship without seeking linearity. 

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