- InChI
- InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-7(18-12(4)10(5)16)3-6(14)9(15)11(8)17/h1-3H
- InChI Key
- NZUPQBVDIWCPBX-UHFFFAOYSA-N
- Formula
- C12H3Cl5O
- SMILES
-
Clc1cc2oc3c(Cl)c(Cl)ccc3c2c(Cl
)c1Cl - Molecular Weight1
- 340.42
- Other Names
-
- 1,2,3,6,7-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 | 0.6146 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -30.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.853 | Crippen Calculated Property | |
| McVol | 188.630 | ml/mol | McGowan Calculated Property |
| Pc | 2432.96 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2522.00; 2557.00] |
|
|
| Inp | 2557.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Inp | 2557.00 | NIST | |
| Tboil | 664.97 | K | Relay (1.0) Calculated Property |
| Tc | 987.78 | K | Relay (1.0) Calculated Property |
| Tfus | 453.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzofuran, 1,2,3,6,7-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
- Crippen Method
- McGowan Method
- NIST Webbook
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