CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. XVII. ALKYLAMINES
Journal: Pozharovzryvobezopastnost/Fire and Explosion Safety (Vol.23, No. 9)Publication Date: 2014-09-29
Authors : SMIRNOV V. V. ALEXEEV S. G. Candidate of Chemistry Sciences BARBIN N. M. Doctor of Technical Sciences;
Page : 27-37
Keywords : QSPR; flash point; property; dependence; prediction; alkylamines.;
Abstract
The correlation of chemical structure and fire-dangerous properties is studied in number of alkylamines. It is shown, that for these compounds the carbon rule which allows to predict their physicochemical and fire-dangerous properties well works. Empirical equations of calculation are offered for boiling point (BP(K) = (13,23+2,8NÑ 0 5, ) 2 ; BP(K) = (15,81 + 0,84(ln#) 2 ) 2 ; BP(K) = (12,64 + + 10,9Ñs 0 5, ) 2 ), critical pressure (Pc (atm) = 72,2 – 21,9 ln (NÑ)), critical temperature (Òc(K) = 307,5 + + 112,2 NÑ 0 5, ), lower and upper flammability limit (LFL(%) = 4,96NÑ 0 85 , ; UFL(%) = 21NÑ 0 68 , ), lower and upper flammability limit temperature (LFLT(K) = –0,22NÑ 2 + 18,3NÑ + 193,2; UFLT(K) = = –0,43NÑ 2 + 2,83NÑ + 206,5), heat of combustion (Ícomb 103 (kJmole) = 0,3641 + 0,606NÑ), flash point (FP(K) = 214,4 + 26,6(lnNÑ) 2 ;FP(K) = (14,17 + 0,6(ln#) 2 ) 2 ;FP(K) = (32081,63 + 123272,86Ñs) 0,5; ÒÂ(K) = 0,63BP(K) –0,17NÑ + 44,15). In the case of isomeric compounds, conditional carbon chain (CCC), pseudofactor #* = CCC + (2CCC + 3)4, pseudo-stoichiometric concentration C* s are substituted in formulas. New coefficients for the modified Ormandy–Craven's equation (a = 0,63 and b = –56,3) were found.
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