Reliable method for prediction of the flash point of various classes of amines on the basis of some molecular moieties for safety measures in industrial processes

This work presents a novel, reliable and simple method of estimating the flash point of various types of flammable amines, which are important for safety measures in industrial processes. Different amines include aliphatic amines such as primary, secondary, tertiary and cyclic amines as well as aromatic amines and hetero arenes containing nitrogen heteroatom. The proposed correlation is based on the contribution of some specific molecular moieties and functional groups, which can easily be used for any types of amines. Intermolecular forces are important in the new method, which are counted by two increasing and decreasing parameters. The root mean square (rms) deviation is 18 K for different classes of amines including 133 diverse compounds. The estimated flash points have been compared with one of the best available predictive methods, which gives much lower value of the rms deviation.

► A reliable method is introduced for desk calculation of flash point of any amine.
► There is no need to use computer codes, which are essential for QSPR methods.
► The present method gives good predictions of flash points for 133 diverse amines.
► The reliability of this method has been confirmed for amines with complex molecular structures.