CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. XVIII. ALKYL DERIVATIVES AMINOETHANOL

It is performed QSPR research in number of alkyl derivatives aminoethanol. It is shown possibility of applying the carbon rule for prediction physicochemical and fire-dangerous properties of aminoalcohols. Empirical relationships for prediction heat of vaporization (Hv), heat of formation (Hf), critical pressure (Pc), critical temperature (Tc), boiling point and flash point, lower and upper flammability limits (LFL, UFL) are found depending on number of carbon atoms (NC): Hv = 1,55NC + 37,95 (2  NC  6 — 1st type); Hf = 20,92NC + 167,83 (2  NÑ  11); Pc = 0,34NC 2 – – 8,82NÑ + 77,98 (2  NC  11); Tc = 16,21NÑ + 538,2 (2  NÑ  11); TB = 0,81NC 2 + 34,39NÑ + + 347,19 (2  NÑ  11); FP = 0,34NÑ 2 + 17,08NÑ + 279,98 (2  NÑ  11); LFL = 0,07NÑ 2 – 0,89NÑ + + 3,91 (2  NÑ  11); UFL = 0,57NC 2 – 7,77NC + 33,6 (2  NÑ  11). Flash point values of alkyl derivatives aminoethanol calculated by the ACD
Labs, HSPiP, ChemBioOffice 2012, Interstate standard 12.1.044–89* method.