- InChI
- InChI=1S/C12H5Cl3O/c13-6-1-2-7-10(5-6)16-12-9(15)4-3-8(14)11(7)12/h1-5H
- InChI Key
- XTLMVJUSIANHND-UHFFFAOYSA-N
- Formula
- C12H5Cl3O
- SMILES
-
Clc1ccc2c(c1)oc1c(Cl)ccc(Cl)c1
2 - Molecular Weight1
- 271.53
- Other Names
-
- 1,4,7-trichlorodibenzofuran
- 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 | 0.5420 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.546 | Crippen Calculated Property | |
| McVol | 164.150 | ml/mol | McGowan Calculated Property |
| Pc | 2811.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2081.00; 2086.00] |
|
|
| Inp | 2086.00 | NIST | |
| Inp | 2081.00 | NIST | |
| Inp | 2086.00 | NIST | |
| Inp | 2086.00 | NIST | |
| Inp | 2081.00 | NIST | |
| Tboil | 630.29 | K | Relay (1.0) Calculated Property |
| Tc | 930.15 | K | Relay (1.0) Calculated Property |
| Tfus | 400.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzofuran, 1,4,7-trichloro.
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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