- InChI
- InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H
- InChI Key
- OGBQILNBLMPPDP-UHFFFAOYSA-N
- Formula
- C12H3Cl5O
- SMILES
-
Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2
cc1Cl - Molecular Weight1
- 340.42
- CAS
- 57117-31-4
- Other Names
-
- 2,3,4,7,8-Pentachlorodibenzofuran
- 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 | 0.6200 | Relay (... Calculated Property | |
| ΔfG° | -6.62 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -47.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -9.16 | Aq. Sol... | |
| logPoct/wat | 6.853 | Crippen Calculated Property | |
| McVol | 188.630 | ml/mol | McGowan Calculated Property |
| Pc | 2441.07 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2536.00; 2586.00] |
|
|
| Inp | 2586.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2536.00 | NIST | |
| Inp | 2545.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2586.00 | NIST | |
| Tboil | 662.58 | K | Relay (... Calculated Property |
| Tc | 988.12 | K | Relay (... Calculated Property |
| Tfus | 465.49 | K | Relay (... Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzofuran, 2,3,4,7,8-pentachloro-.
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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