INFLUENCE OF STRUCTURE MOLECULE OF KETONES ON FLASHPOINT

The descriptors that reflect the structural features of the molecule and its physical characteristics (topological and geometrical indices) for representatives of the homologous series of limit ketones were calculated. The regularity in the increase of the values of all the studied descriptors with the complexity of the molecular structure was detected. Greatest impact on the value of descriptors renders the change in length of the carbon chain of ketones. Similar laws are fixed when analyzing of flashpoint test substances. On the basis of data on descriptors of molecules and fire hazard properties found quantitative relationship between molecular structure and a flashpoint for members of a homologous series of limit ketones. The approximation's equation for predicting the flashpoint of limit ketones was obtained. The approbation of the obtained equation by the example of limit ketones, not included in sampling was conducted. Based on the results of the research concluded that approximation equation may be used for predicting the flashpoint of limit ketones.