CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. VIII. ESTERS (PART 1)

The correlation of chemical structure and fire-dangerous properties is studied among aliphatic esters of a normal structure. The carbon rule well works for RCO2R. It is allowed to predict their physicochemical and fire-dangerous indices. Travel of the ester group along an 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 (Ê) = –0,46NÑ 2 + 27,03NÑ + 430,1 (NÑ < 21); boiling point: Tb (Ê) = –0,379NC 2 + 26,448NC + 254 (NC < 23); flash point: FP (Ê) = –0,3107NC 2 + 17,475NC + 206,4 (NC < 17); fire (ignition) temperature: FT (K) = 13,65NC + 227,6 (NC < 22); low and upper temperature explosive limits: LTEL (K) = 13,65NC + 227,6 (NC  12); LTEL (K) = 154,09ln(NC) – 29,4 (NC > 12); UTEL = 16NC + 236,2 (NC  12); low and upper explosive limits: LEL (%) = 10,472NC – , 1 1297 (NC < 23); UEL (%) = 1,16 + 43,051
NC (NC < 23); combustion heat: Q (kJ
mole) = 606,2NC – 321,6 (NC < 23); critical pressure: Pc (atm) = –10,486 + 99,243
NC 0 5, (NC < 23) from number of atoms of carbon (NC) in an ester molecule. In the modified Ormandy–Craven's formula the values of coefficients a (0,627) and b (50,4) are improved for this number of organic compounds.