Improved Prediction of Hydrocarbon Flash Points from Boiling Point Data

Flash points ( T FP ) of hydrocarbons are calculated from their flash point numbers, N FP, with the relationship In turn, the N FP values can be predicted from experimental boiling point numbers ( Y BP ) and molecular structure with the equation where D is the number of olefinic double bonds in the structure, T is the number of triple bonds, and B is the number of aromatic rings. For a data set consisting of 300 diverse hydrocarbons, the average absolute deviation between the literature and predicted flash points was 2.9 K.