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CORRELATION OF FIRE HAZARD CHARACTERISTICS WITH CHEMICAL STRUCTURE. XX. CHLOROALKANES (Part 2)

Journal: Pozharovzryvobezopastnost/Fire and Explosion Safety (Vol.24, No. 8)

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Authors : ;

Page : 27-33

Keywords : ;

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Abstract

Flash point for a set of 34 compounds of the class of chloroalkanes was calculated by the rule of "carbon chain" (manual version and with five previously found equations: FP(°Q = 0.63ВР(°С) - 57.53; FP(K) = 24.03/V C - 0.59V C 2 + 177; FP(K) = 189 + 7.72p 1,5 - 0.632p 2,5 + 0.08p 3; FP(K) = 198.5 + + 64.99/С + 774.8/C 2 - 1093.01/С, 3 + 443.29/С 4; FP(K) = 3.7/V C + 0.492BP(K) + 75.63). In the case ofisomeric compounds, conditional carbon chain (CCC),pseudofactor p* = CCC + (2CCC + /V Cl)/4, pseudo-stoichiometric concentration C* are substituted in formulas. A comparative analysis of prediction results by the method of "carbon chain" and other methods (Interstate Standard 12.1.044-89*, Rowley, ACDLabs 2014 and TEST (version 4.1) software systems) is made. It is established that equations (2) and (3) give the best results (average absolute deviation of 1.25 and 1.27 % respectively).

Last modified: 2018-10-18 21:05:03