Prediction of gas and liquid chromatographic retention indices of polyhalogenated biphenyls

Journal Article · Wed Oct 31 23:00:00 EST 1990 · Analytical Chemistry (Washington); (USA)

DOI:https://doi.org/10.1021/ac00220a012· OSTI ID:5942147

Hasan, M N; Jurs, P C ^[1]

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1. Pennsylvania State Univ., University Park (USA)

Gas chromatographic and liquid chromatographic retention indices of polyhalogenated biphenyl compounds are successfully modeled by using descriptors derived directly from the molecular structures. A five-variable regression equation with R{sup 2} = 0.989 and relative standard deviation of 2.2% was generated for the GC retention indices of 53 PHBs. A five-variable regression equation with R{sup 2} = 0.968 and relative standard deviation of 8.5% was generated for the LC retention indices of 53 PHBs. The descriptors found to be important are analyzed.

• OSTI ID: 5942147
• Journal Information: Analytical Chemistry (Washington); (USA), Journal Name: Analytical Chemistry (Washington); (USA) Vol. 62:21; ISSN ANCHA; ISSN 0003-2700
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102* -- Chemical & Spectral Procedures
AROMATICS
BIPHENYL
CALCULATION METHODS
CHLORINATED AROMATIC HYDROCARBONS
CHROMATOGRAPHY
DATA
DATA ANALYSIS
FUNCTIONS
GAS CHROMATOGRAPHY
HALOGENATED AROMATIC HYDROCARBONS
HYDROCARBONS
INFORMATION
LIQUID COLUMN CHROMATOGRAPHY
NUMERICAL DATA
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
RETENTION FUNCTIONS
SEPARATION PROCESSES
THEORETICAL DATA