- InChI
- InChI=1S/C12H5Cl3S/c13-6-1-2-11-8(3-6)9-4-7(14)5-10(15)12(9)16-11/h1-5H
- InChI Key
- JDABVIGRNJDKHH-UHFFFAOYSA-N
- Formula
- C12H5Cl3S
- SMILES
- Clc1ccc2sc3c(Cl)cc(Cl)cc3c2c1
- Molecular Weight1
- 287.59
- 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 | 0.5103 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 142.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.015 | Crippen Calculated Property | |
| McVol | 174.630 | ml/mol | McGowan Calculated Property |
| Pc | 2749.39 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2324.00; 2324.00] |
|
|
| Inp | 2324.00 | NIST | |
| Inp | 2324.00 | NIST | |
| Tboil | 657.51 | K | Relay (1.0) Calculated Property |
| Tc | 943.50 | K | Relay (1.0) Calculated Property |
| Tfus | 421.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,8-Dichloro-dibenzothiophene.
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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