ChemNeuro
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JOBACK Method
Please input functional group number and push
calc button. Joback and Reid's Method Joback and Reid(1987) proposed a group contribution method that gives an approximate value of the boiling point of aliphatic and aromatic hydrocarbons. The boiling point is estimated with the sum of contributions of all structural groups found in the molecule. Tb=198.2+sigma(ni * deltabi) Tb: normal boiling point, K This equation tends to overestimate boiling point values in the temperature range above 500K. The following two polynomial relationships correct for this. Tb(corr)=Tb - 94.84 + 0.5577 Tb - 0.0007705
Tb2, (Tb < 700K) It is said, using the appropriate polynomial
correction, this model produces an average absolute error of 15.5K
and an average absolute percent error of 3.2%. |