Dibenzo[b,e][1,4]dioxin, 1,3,7-trichloro-
- Formula: C12H5Cl3O2
- Molecular weight: 287.526
- IUPAC Standard InChI: InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(4-6)16-11-5-7(14)3-8(15)12(11)17-9/h1-5H
- IUPAC Standard InChIKey: RPKWIXFZKMDPMH-UHFFFAOYSA-N
- CAS Registry Number: 67028-17-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,3,7-Trichlorodibenzo[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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 421.7 | K | N/A | Rordorf, 1986 | Uncertainty assigned by TRC = 0.1 K; TRC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 116.2 | 342. | T | Rordorf, 1989 | Based on data from 310. to 373. K. See also Rordorf, 1986, 2.; AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 30.8 | 421.7 | Rordorf, 1986, 3 | AC |
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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2133. | 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2165. | Lin, Liu, et al., 2002 | Program: not specified |
| Capillary | DB-5 | 2166. | 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.
Rordorf, 1986
Rordorf, B.F.,
Proc. 5th Interna. Sympo. on Chlorinated Dioxins and Related Compounds, Bayreuth, 1986. [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, 2
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]
Rordorf, 1986, 3
Rordorf, B.F.,
, Proceedings of the Fifth International Symposium on Chlorinated Dioxins and Related Compounds (16-19 September), Bayreuth, Germany, 1986. [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]
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:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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