Predicting Flash Point of Organosilicon Compounds Using Quantitative Structure Activity Relationship Approach

Table 5

Experimental values of flash point and values predicted by the models in Chen et al. [9], Pan et al. [11], and in the current study for the six organosilicon compounds added in the testing set of this study from DIPPR database.

Models/compounds		1*	2*	3*	4*	5*	6*
FP value (K)		360.93	347	406.15	369.26	297.15	245.15
Chen et al. [9]	Predicted value	319.59	305.28	311.38	321.57	260.01	227.36
	Predicted error	41.34	41.72	94.77	47.69	37.14	17.79
Pan et al. [11]	Predicted value	92.93	62.80	357.43	134.83	110.34	15.06
	Predicted error	268	284.2	48.72	234. 43	186.81	230.09
This work	Predicted value	355.32	315.52	400.8	341.23	305.88	246.12
	Predicted error	5.61	31.48	5.35	28.03	8.73	0.97

1* [3-(mercapto) propyl] triethoxysilane.
2* 3-(trimethoxylsilyl)-1-propanethiol.
3* hexadecamethylheptasiloxane.
4* gamma-aminopropyltriethoxylsilane.
5* dichlorodiethylsilane.
6* dimethylchlorosilane.