Dibenzo-p-dioxin, 1,2,3,4,6,7-hexachloro

Formula: C₁₂H₂Cl₆O₂
Molecular weight: 390.861
IUPAC Standard InChI: InChI=1S/C12H2Cl6O2/c13-3-1-2-4-10(5(3)14)20-12-9(18)7(16)6(15)8(17)11(12)19-4/h1-2H
IUPAC Standard InChIKey: NLBQVWJHLWAFGJ-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: 1,2,3,4,6,7-hexachloro dibenzo-p-dioxin
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2812.	Donnelly, Munslow, et al., 1987	60. m/0.252 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; T_end: 340. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	2762.	Korhonen and Mantykoski, 1989	25. m/0.20 mm/0.11 μm, He; Program: 100 0C (1 min) 20 0C/min -> 180 0C 5 0C/min -> 290 0C (until elution of the last peak)
Capillary	HP-5	2806.	Korhonen and Mantykoski, 1989	25. m/0.20 mm/0.11 μm, He; Program: 100 0C (1 min) 20 0C/min -> 180 0C 5 0C/min -> 290 0C (until elution of the last peak)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2812.	Zhao and Yu, 2007	60. m/0.25 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; T_end: 340. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2776.	Lin, Liu, et al., 2002	Program: not specified
Capillary	DB-5	2776.	Lin, Liu, et al., 2002	Program: not specified
Capillary	DB-5	2812.	Lin, Liu, et al., 2002	Program: not specified

References

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Donnelly, Munslow, et al., 1987
Donnelly, J.R.; Munslow, W.D.; Mitchum, R.K.; Sovocool, G.W., Correlation of structure with rentention index for chlorinated dibenzo-p-dioxins, J. Chromatogr., 1987, 392, 51-63, https://doi.org/10.1016/S0021-9673(01)94253-0 . [all data]

Korhonen and Mantykoski, 1989
Korhonen, I.O.O.; Mantykoski, K.M., Gas-Liquid Chromatographic Analyses. L. Retention, Dispersion and Selectivity Indices of Polychlorinated Dibenzo-p-dioxins and Dibenzofurans, J. Chromatogr., 1989, 477, 2, 327-336, https://doi.org/10.1016/S0021-9673(01)89641-2 . [all data]

Zhao and Yu, 2007
Zhao, J.-S.; Yu, S.-X., Quantitative structure-retention relationship for polychlorinated dibenzodioxins based on molecular interaction fields ...., Chin. J. Anal. Chem., 2007, 35, 12, 1756-1760. [all data]

Lin, Liu, et al., 2002
Lin, Z.; Liu, S.; Li, Z., Molecular modeling of quantitative structure retention relationship studies: retention behavior of polychlorinated dibenzofurans on gas chromatographic stationary phases of varying polarity by a novel molecular distance edge vector, J. Chromatogr. Sci., 2002, 40, 7-13. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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