QSPR Analysis of Flash Points
نویسندگان
چکیده
A quantitative structure property relationship study of the flash point of a diverse set of 271 compounds provided a general three-parameter QSPR model (R(2) = 0.9020, R(2)(cv) = 0.8985, s = 16.1). Use of the experimental boiling point as a descriptor gives a three-descriptor equation with R(2) = 0.9529. Use of the boiling point predicted by a four-parameter reported relationship gives a three-parameter flash point equation with a R(2) value of 0.9247.
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ورودعنوان ژورنال:
- Journal of chemical information and computer sciences
دوره 41 6 شماره
صفحات -
تاریخ انتشار 2001