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Document ID (ISN)58141
CIS number 92-981
ISSN - Serial title Research Reports of the Research Institute of Industrial Safety
Year 1991
Convention or series no. RIIS-PR-90
Author(s) Fujimoto Y., Ando T., Itagaki H., Morisaki S.
Title Prediction of thermal hazard data of benzene derivatives by multivariate statistical analysis of their chemical structure
Original title Kagaku kōzō kara no netsu kikensei dēta no yosoku - benzen tankan yūdōtai [in Japanese]
Bibliographic information 10 May 1991, p.59-74. 10 ref.
Abstract Differential scanning calorimetry was used to determine the onset temperature of thermal decomposition and the heat of decomposition of mono-substituted nitrobenzenes. Multivariate regression analysis and discriminant analysis of the relation between thermal properties and substituent structure yielded values for the heat of decomposition contributed by each bond in the various substituents. When these values were used to predict the heats of decomposition of other substituted benzenes, the results agreed well with measured heats. The method was less successful for predicting decomposition temperature but still shows promise for the ranking of substances by hazardousness.
Descriptors (primary) chemical reactions; chemical safety; aromatic nitro compounds; fire prevention; explosion prevention
Descriptors (secondary) differential thermal analysis; calorimetry; description of technique
Document type D - Periodical articles
Country / State or ProvinceJapan
Subject(s) Fire and explosions
Broad subject area(s) Fires, explosions and major hazards
Browse category(ies) Fires
Aliphatic nitro compounds
Explosions