- InChI
- InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H
- InChI Key
- WDMKCPIVJOGHBF-UHFFFAOYSA-N
- Formula
- C12HCl7O
- SMILES
-
Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(C
l)c32)c(Cl)c1Cl - Molecular Weight1
- 409.31
- CAS
- 67562-39-4
- Other Names
-
- Dibenzofuran, 1,2,3,4,6,7,8-heptachloro
- 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 | 0.6825 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -34.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.48 | Aq. Solubility Prediction | |
| logPoct/wat | 8.160 | Crippen Calculated Property | |
| McVol | 213.110 | ml/mol | McGowan Calculated Property |
| Pc | 2221.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2874.00; 2899.00] |
|
|
| Inp | 2898.00 | NIST | |
| Inp | 2874.00 | NIST | |
| Inp | 2899.00 | NIST | |
| Inp | 2898.00 | NIST | |
| Inp | 2898.00 | NIST | |
| Inp | 2874.00 | NIST | |
| Tboil | 687.78 | K | Relay (1.0) Calculated Property |
| Tc | 1039.02 | K | Relay (1.0) Calculated Property |
| Tfus | 513.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,4,6,7,8-Heptachlorodibenzofuran.
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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