| Titre : | Simple method to evaluate and to predict flash points of organic compounds (2011) |
| Auteurs : | Felix A. Carroll, Auteur ; Chung-Yon Lin, Auteur ; Frank H. Quina, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 50 N° 8, Avril 2011) |
| Article en page(s) : | pp. 4796–4800 |
| Note générale : | Chimie industrielle |
| Langues : | Anglais |
| Tags : | 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 |
