title: Investigation of general expression to predict the molar response factor in the GC for monosubstituted alkanes.
abstract: 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.
authors.affiliation: School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan, 411201, People's Republic of China. chzcao@163.com
authors.forename: Chenzhong
authors.initials: C
authors.lastname: Cao
authors.forename: Ping
authors.initials: P
authors.lastname: Huo