Prediction models for the flash point of pure components

The flash point for a liquid is defined as the lowest temperature at which its vapor forms a spontaneously ignitable mixture when brought in contact with air. Having a good estimation of the flash point temperature at normal conditions is relevant because it is one of the main properties used to characterize fire and explosion hazards for liquids. Most of predictive correlations in the literature include a physical effect by including the normal boiling temperature in their formulation. To achieve combustion, sufficient evaporation is required and then a part of the liberated energy from the combustion is used to support the evaporation. Thus the evaporation energy and a chemical effect given by the heat of reaction are incorporated in this work. It is firstly verified that the relation between the flash point temperature and the normal boiling temperature tends to be a constant. Thus a heuristic approach based on 611 chemical species of diverse families indicates that this relation is around 0.75. The dispersion of the error has been reduced by using two proposed correlations where both physical and chemical properties are included in the model. In particular, the second equation is based on the group contributions method, which has been developed for alkanes. This method is in fact a combination of the group contributions method and the first model to overcome the difficulties in predicting isomeric differences.