- InChI
- InChI=1S/C12H2Cl6O/c13-3-1-4(14)10(17)12-7(3)8-6(19-12)2-5(15)9(16)11(8)18/h1-2H
- InChI Key
- JZVOLXQREJNTTL-UHFFFAOYSA-N
- Formula
- C12H2Cl6O
- SMILES
-
Clc1cc2oc3c(Cl)c(Cl)cc(Cl)c3c2
c(Cl)c1Cl - Molecular Weight1
- 374.86
- 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 | 0.6456 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -32.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.506 | Crippen Calculated Property | |
| McVol | 200.870 | ml/mol | McGowan Calculated Property |
| Pc | 2383.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2728.00 | NIST | |
| Tboil | 669.33 | K | Relay (1.0) Calculated Property |
| Tc | 1005.50 | K | Relay (1.0) Calculated Property |
| Tfus | 463.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.752 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzofuran, 1,2,3,6,7,9-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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