Published:Journal of Chromatographic Science,
ISSN 0021-9665 Volume
45, Number 6, July 2007, pp.360-368
Investigation of General Expression to Predict
the Molar Response Factor in the GC for Monosubstituted Alkanes
Chenzhong Cao and Ping Huo
School of Chemistry and Chemical Engineering, Hunan University
of Science and Technology, Xiangtan, 411201, People’s Republic
of China
The flame ionization detection relative molar response
factors (fM) are determined by experiments for 23 monosubstituted
alkanes RX (X = Cl, OH, SH, and NH2). A new molecular descriptor,
modified inner molecular polarizability index (IMPIm), is developed.
Using the IMPIm, the number of hydrogen atoms (NH) on the group
X and the group electronegative Xp as variables, the obtained
fM values as functions, a general expression to predict molar
response factor values, is established. The credibility of the
expression is confirmed by both of the leave-one-out method and
the detection of model mixture.
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