Simple method to evaluate and to predict flash points of organic compounds / Felix A. Carroll in Industrial & engineering chemistry research, Vol. 50 N° 8 (Avril 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 8 (Avril 2011) . - pp. 4796–4800 Titre : Simple method to evaluate and to predict flash points of organic compounds Type de document : texte imprimé Auteurs : Felix A. Carroll, Auteur ; Chung-Yon Lin, Auteur ; Frank H. Quina, Auteur Année de publication : 2011 Article en page(s) : pp. 4796–4800 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Organic compounds Résumé : Flash points (TFP) of organic compounds are calculated from their flash point numbers, NFP, with the relationship TFP = 23.369NFP2/3 + 20.010NFP1/3 + 31.901. In turn, the NFP values can be predicted from boiling point numbers (YBP) and functional group counts with the equation NFP = 0.974YBP + ∑i niGi + 0.095 where Gi is a functional group-specific contribution to the value of NFP and ni is the number of such functional groups in the structure. For a data set consisting of 1000 diverse organic compounds, the average absolute deviation between reported and predicted flash points was less than 2.5 K. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1021283 [article] Simple method to evaluate and to predict flash points of organic compounds [texte imprimé] / Felix A. Carroll, Auteur ; Chung-Yon Lin, Auteur ; Frank H. Quina, Auteur . - 2011 . - pp. 4796–4800. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 8 (Avril 2011) . - pp. 4796–4800 Mots-clés : Organic compounds Résumé : Flash points (TFP) of organic compounds are calculated from their flash point numbers, NFP, with the relationship TFP = 23.369NFP2/3 + 20.010NFP1/3 + 31.901. In turn, the NFP values can be predicted from boiling point numbers (YBP) and functional group counts with the equation NFP = 0.974YBP + ∑i niGi + 0.095 where Gi is a functional group-specific contribution to the value of NFP and ni is the number of such functional groups in the structure. For a data set consisting of 1000 diverse organic compounds, the average absolute deviation between reported and predicted flash points was less than 2.5 K. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1021283

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