CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. XIX. NITROACETATES

QSPR research in the number of nitroacetates is carried out. It is shown that at the boiling point these compounds exist in mix the keto form and one of the enol forms. It is established that prediction of the boiling and flash points for one of tautomer forms gives unacceptable results. Boiling and flash points of the keto and enol tautomers of nitroacetic esters and isomeric mixtures was calculated by ACD
Lab 2014 and TEST programs. It was found that flash points of nitroesters can be predicted up to 1–4 degrees using the method of the carbon chain. Empirical equations FP = –0,0833x3 + 1,75x2 – 4,5238x + 361,57 (where x is number of carbon atoms in a molecule) has proposed for the convenience using of this method.