Flash points of organosilicon compounds / Didier Mathieu in Industrial & engineering chemistry research, Vol. 51 N° 43 (Octobre 2012)  

Flash points of organosilicon compounds : How data for alkanes combined with custom additive fragments can expedite the development of predictive models [texte imprimé] / Didier Mathieu, Auteur . - 2013 . - pp. 14309-14315.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 43 (Octobre 2012) . - pp. 14309-14315

Mots-clés :	Forecast model Additive
Résumé :	An especially simple approach to the evaluation of flash point (FP) from additive fragment contributions is outlined. Being based on a square root expression derived from the examination of n-alkanes data, it avoids the need for nonlinear fitting procedures and for trial-and-error optimization of the analytical relationship between FP and molecular descriptors. Furthermore, in spite of a specially small number of additive contributions, the method can be applied to most organic molecules. For organosilicon compounds, it exhibits some advantages compared to previously available procedures, while providing very similar performances, with an average absolute deviation from experiment close to 12 K, a determination coefficient R2 = 0.89 and only one error >40 K.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26593358