Alexeev, S. G. published the artcileCorrelation of fire hazard characteristics with chemical structure. X. esters (part 2), SDS of cas: 5340-78-3, the publication is Pozharovzryvobezopasnost (2013), 22(5), 9-19, database is CAplus.
The correlation of chem. 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 physicochem. and fire-dangerous indexes. Travel of the ester group along a hydrocarbon chain practically does not lead to change of the physicochem. 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), b.p. (TB (K) = – 0.379(Nc)2 + 26.448(Nc) + 254), flash point (FP (K) = -0.3107(Nc)2 + 17.475(Nc) + 206.4; FP (°C) = -0.627TB (°C) – 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 (LTEL (%) = 10.472(Nc)-1.1297, UEL (%) = 1.16 + 43.051/(Nc)), combustion heat (Q (kJ/mol) = 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 mol.
Pozharovzryvobezopasnost published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, SDS of cas: 5340-78-3.
Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics