- InChI
- InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H
- InChI Key
- SBMIVUVRFPGOEB-UHFFFAOYSA-N
- Formula
- C12H3Cl5O
- SMILES
-
Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2
cc1Cl - Molecular Weight1
- 340.42
- CAS
- 57117-41-6
- Other Names
-
- Dibenzofuran, 1,2,3,7,8-pentachloro-
- 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 | 0.6205 | Relay (1.0) Calculated Property | |
| ΔfG° | -6.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -49.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.853 | Crippen Calculated Property | |
| McVol | 188.630 | ml/mol | McGowan Calculated Property |
| Pc | 2481.71 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2496.00; 2549.00] |
|
|
| Inp | 2549.00 | NIST | |
| Inp | 2507.00 | NIST | |
| Inp | 2496.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2507.00 | NIST | |
| Inp | 2507.00 | NIST | |
| Inp | 2549.00 | NIST | |
| Inp | 2496.00 | NIST | |
| Tboil | 664.42 | K | Relay (1.0) Calculated Property |
| Tc | 990.24 | K | Relay (1.0) Calculated Property |
| Tfus | 463.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,7,8-Pentachlorodibenzofuran.
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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