- InChI
- InChI=1S/C12H2Cl6O/c13-3-1-4(14)6-5(2-3)19-12-7(6)8(15)9(16)10(17)11(12)18/h1-2H
- InChI Key
- BKIXWRBZCQEZAQ-UHFFFAOYSA-N
- Formula
- C12H2Cl6O
- SMILES
-
Clc1cc(Cl)c2c(c1)oc1c(Cl)c(Cl)
c(Cl)c(Cl)c12 - Molecular Weight1
- 374.86
- Other Names
-
- 1,2,3,4,7,9-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 | 0.6398 | Relay (1.0) Calculated Property | |
| ΔfG° | -44.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -16.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.506 | Crippen Calculated Property | |
| McVol | 200.870 | ml/mol | McGowan Calculated Property |
| Pc | 2352.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2719.00; 2720.00] |
|
|
| Inp | 2720.00 | NIST | |
| Inp | 2719.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2719.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Tboil | 676.42 | K | Relay (1.0) Calculated Property |
| Tc | 1004.01 | K | Relay (1.0) Calculated Property |
| Tfus | 472.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzofuran, 1,2,3,4,7,9-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
- Crippen Method
- McGowan Method
- NIST Webbook
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