A New Method for Predicting the Flash Points of Organic Compounds from the Information of Molecular Component
Keqiang Wang · Bulletin of Science and Technology · 2002
Based on the characteristics of molecular structure, the correlation was investigated between flash points and molecular component,and a universal method,the three-parameter group contribution method, was developed which can be used to predict the flash points of pure organic compounds. The calculated results showed that the predicted flash points agreed with the experiment data satisfactorily, and the mean relative deviation was 4.71% for 750 compounds. The method can be used not only to reveal the quantitative relation between flash point and molecular component but to predict the flash points of compounds for chemical engineering.