QSPR analysis of flash point

A quantitative structure property relationship study of the flash point of a diverse set of 271 compounds provided a general three-parameter QSPR model (R2) 0.9020, R2cv) 0.8985, s) 16.1). Use of the experimental boiling point as a descriptor gives a three-descriptor equation with R2) 0.9529. Use of the boiling point predicted by a four-parameter reported relationship gives a three-parameter flash point equation with a R2 value of 0.9247