- InChI
- InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H
- InChI Key
- JEYJJJXOFWNEHN-UHFFFAOYSA-N
- Formula
- C12H2Cl6O
- SMILES
-
Clc1cc2c(oc3cc(Cl)c(Cl)c(Cl)c3
2)c(Cl)c1Cl - Molecular Weight1
- 374.86
- Other Names
-
- 1,2,3,6,7,8-hexachlorodibenzofuran
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6509 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -46.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.33 | Aq. Solubility Prediction | |
| logPoct/wat | 7.506 | Crippen Calculated Property | |
| McVol | 200.870 | ml/mol | McGowan Calculated Property |
| Pc | 2329.20 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2699.00; 2714.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2714.00 | NIST | |
| Tboil | 675.54 | K | Relay (1.0) Calculated Property |
| Tc | 1011.34 | K | Relay (1.0) Calculated Property |
| Tfus | 485.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzofuran, 1,2,3,6,7,8-hexachloro.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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