CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. XII. ALKYL BENZENES AND DIALKÓL BENZENES
Journal: Pozharovzryvobezopastnost/Fire and Explosion Safety (Vol.23, No. 6)Publication Date: 2014-06-27
Authors : ALEXEEV S. G. Candidate of Chemistry Sciences MAVLYUTOVA L. K. KOSHELEV A. Yu. ALEXEEV K. S. BARBIN N. M. Doctor of Technical Sciences;
Page : 38-46
Keywords : alkyl benzene; dialkyl benzene; flash point; dependence; prediction; ñheminformatics.;
Abstract
The correlation of chemical structure and fire-dangerous properties is studied in number of monoalkilbenzenes and dialkylenzenes. The carbon rule well works for these compounds. The empirical equations of calculation are offered for refractive index nD = –(5·10–6)(CCC)3 + 0,0002(CCC)2 – – 0,0031(CCC) + 1,497), boiling point (TB(K) = –0,486(CCC)2 + 26,039(CCC) + 359), critical temperature (Òc(K) = 0,024(CCC)3 – 1,151(CCC)2 + 28,048(CCC) + 565,1), critical pressure (Ðc(atm) = = –0,0075(CCC)3 + 0,3211(CCC)2 – 5,2444(CCC) + 45,018), heat of combustion (Hcomb(kJmole) = = 611,179(CCC) + 3116), flash point (FP(K) = –0,283(CCC)2 + 17,481(CCC) + 261,7; FP(K) = = 124,3 + 0,0208(TB(K))1,5), upper flammability limit temperature (UFLT(K) = –0,344(CCC)2 +20,155(CCC) + 291,8) and upper flammability limit (UFL(%) = 7,72 – 0,638(CCC) + 0,051(CCC)2 – – 0,0022(CCC)3 + 3,71·10–5(CCC)4 , CCC is a conditional carbon chain).
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