CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. X. ESTERS (PART 2)

The correlation of chemical structure and fire-dangerous properties is studied among aliphatic esters of isostructure. The carbon rule well works for these compounds. It is allowed to predict their physicochemical and fire-dangerous indices. Travel of the ester group along a hydrocarbon chain practically does not lead to change of the physicochemical and fire-dangerous properties of esters. The empirical equations of calculation are offered for critical temperature (Tc (K) = –0,46(NC) 2 + + 27,03(NC) + 430,1), boiling point (TB (K) = – 0,379(NC) 2 + 26,448(NC) + 254), flash point (FP (K) = = –0,3107(NC) 2 + 17,475(NC) + 206,4; FP (°Ñ) = –0,627TB (°Ñ) — 50,4); fire (ignition) temperature (FT (K) = 13,65(NC) + 227,6), low and upper temperature explosive limits (LTEL (K) = = 13,54(NC) + 215, UTEL = 16(NC) + 236,2), low and upper explosive limits (LEL (%) = = 10,472(NC) –1,1297, UEL (%) = 1,16 + 43,051
(NC)), combustion heat (Q (kJ
mole) = 606,2(NC) – – 321,6) and critical pressure (Pc (atm) = –10,486 + 99,243
(NC) 0,5) from the conventional hydrocarbon chain (NC) in an ester molecule.