publication . Article . 2016

Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

Liao Hsuan-Yu; Huang Miao-Ling; Lu Yu-Ting; Chao Keh-Ping;
Open Access
  • Published: 01 Jan 2016 Journal: MATEC Web of Conferences, volume 67, page 7,023 (eissn: 2261-236X, Copyright policy)
  • Publisher: EDP Sciences
Abstract
The partition coefficients of 51 organic compounds between SPME/PDMS and gas were compiled from the literature sources in this study. The effect of physicochemical properties and descriptors on the partitioning process of partition coefficients was explicated by the correlation analysis. The PDMS-gas partition coefficients were well correlated to the molecular weight of organic compounds ( r = 0.832, p < 0.05). An empirical model, consisting of the molecular weight and the polarizability, was developed to appropriately predict the partition coefficients of organic compounds. The empirical model for estimating the PDMS-gas partition coefficient will contribute to...
Subjects
free text keywords: Correlation analysis, Partition coefficient, Polarizability, Chemistry, Analytical chemistry, Chromatography, Engineering (General). Civil engineering (General), TA1-2040
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