Dibenzo[b,E][1,4]dioxin, 2,7-dichloro-
- Formula: C12H6Cl2O2
- Molecular weight: 253.081
- IUPAC Standard InChI: InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H
- IUPAC Standard InChIKey: NBFMTHWVRBOVPE-UHFFFAOYSA-N
- CAS Registry Number: 33857-26-0
- 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: Dibenzo-p-dioxin, 2,7-dichloro-; 2,7-Dichlorodibenzo-p-dioxin; 2,7-Dichlorodibenzodioxin; Dcdd; NCI-C03667; 2,7-Dichlorodibenzo[b,e] [1,4]dioxin
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Phase change data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 27.20 ± 0.48 | 375. | ME | Li, Shibata, et al., 2004 | Based on data from 358. to 393. K. |
| 25.22 | 344. | T | Rordorf, 1989 | Based on data from 314. to 374. K. See also Rordorf, 1986. |
Gas Chromatography
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 | 1985. | Donnelly, Munslow, et al., 1987 | 60. m/0.252 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; Tend: 340. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1976. | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1985. | Zhao and Yu, 2007 | 60. m/0.25 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; Tend: 340. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1985. | Lin, Liu, et al., 2002 | Program: not specified |
| Capillary | DB-5 | 1995. | Lin, Liu, et al., 2002 | Program: not specified |
| Capillary | DB-5 | 1996. | Lin, Liu, et al., 2002 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Li, Shibata, et al., 2004
Li, Xian-Wei; Shibata, Etsuro; Kasai, Eiki; Nakamura, Takashi,
VAPOR PRESSURES AND ENTHALPIES OF SUBLIMATION OF 17 POLYCHLORINATED DIBENZO-p-DIOXINS AND FIVE POLYCHLORINATED DIBENZOFURANS,
Environ Toxicol Chem, 2004, 23, 2, 348-808, https://doi.org/10.1897/03-193
. [all data]
Rordorf, 1989
Rordorf, Berchtold F.,
Prediction of vapor pressures, boiling points and enthalpies of fusion for twenty-nine halogenated dibenzo-p-dioxins and fifty-five dibenzofurans by a vapor pressure correlation method,
Chemosphere, 1989, 18, 1-6, 783-788, https://doi.org/10.1016/0045-6535(89)90196-3
. [all data]
Rordorf, 1986
Rordorf, Berchtold F.,
Thermal properties of dioxins, furans and related compounds,
Chemosphere, 1986, 15, 9-12, 1325-1332, https://doi.org/10.1016/0045-6535(86)90407-8
. [all data]
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
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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