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CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. XVII. DICHLOROALKANES

Journal: Pozharovzryvobezopastnost/Fire and Explosion Safety (Vol.24, No. 1)

Publication Date:

Authors : ; ; ;

Page : 25-39

Keywords : dichloroalkane; flash point; dependence; prediction; chemoinformatics.;

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Abstract

The correlation of chemical structure and fire properties is studied in number of dichloroalkanes. It is shown, that for these compounds the carbon rule which allows to predict their physicochemical and fire properties well works. Empirical equations of calculation are offered for critical pressure (Pc (atm) = = – 47,739 ln (NC)0,5 + 92,31), heat of formation (Hf (kJmole) = – (20,639NC + 74,83)), heat of combustion (Hc (kJmole) = – (615,16NC – 132,02)), critical temperature (Òc (K) = 0,155NC 3 – 5,222NC 2 + + 66,062NC + 449,3), boiling point (BP (K) = 0,105NC 3 – 3,588NC 2 + 53,726NC + 262,6), flash point (FP (K) = 16,663NC + 250,5, FP (°C) = 0,848tb – 92,2), lower and upper flammability limit temperatures (LFLT (K) = 0,822NC 2 + 25,35NC + 231,5, UFLT (K) = –1,086LFLT (K) + 16,9). NÑ is number of carbon atoms for normal dichloroalkanes, and it is the conditional carbon chain for isomeric compounds. Earlier unknown physicochemical and fire-dangerous properties are defined for some dichloroalkanes.

Last modified: 2019-10-15 20:28:54