- InChI
- InChI=1S/C12H6Cl2S/c13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h1-6H
- InChI Key
- DMWALPJFUCMNEQ-UHFFFAOYSA-N
- Formula
- C12H6Cl2S
- SMILES
- Clc1cccc2c1sc1cccc(Cl)c12
- Molecular Weight1
- 253.15
- 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 | 0.4667 | Relay (1.0) Calculated Property | |
| ΔfG° | 207.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 161.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.361 | Crippen Calculated Property | |
| McVol | 162.390 | ml/mol | McGowan Calculated Property |
| Pc | 2938.54 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2154.00; 2154.00] |
|
|
| Inp | 2154.00 | NIST | |
| Inp | 2154.00 | NIST | |
| Tboil | 637.55 | K | Relay (1.0) Calculated Property |
| Tc | 927.47 | K | Relay (1.0) Calculated Property |
| Tfus | 381.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-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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