- InChI
- InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
- InChI Key
- QGRKONUHHGBHRB-UHFFFAOYSA-N
- Formula
- C6H4Cl2S
- SMILES
- Sc1cccc(Cl)c1Cl
- Molecular Weight1
- 179.07
- CAS
- 17231-95-7
- Other Names
-
- 2,3-Dichlorothiophenol
- Benzenethiol, 2,3-dichloro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 98.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 53.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 3.282 | Crippen Calculated Property | |
| McVol | 112.470 | ml/mol | McGowan Calculated Property |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Tboil | 511.04 | K | Joback Calculated Property |
| Tc | 769.63 | K | Joback Calculated Property |
| Tfus | 305.14 | K | Joback Calculated Property |
| Vc | 0.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.08; 224.97] | J/mol×K | [511.04; 769.63] | 
|
| Cp,gas | 185.08 | J/mol×K | 511.04 | Joback Calculated Property |
| Cp,gas | 193.15 | J/mol×K | 554.14 | Joback Calculated Property |
| Cp,gas | 200.62 | J/mol×K | 597.24 | Joback Calculated Property |
| Cp,gas | 207.51 | J/mol×K | 640.34 | Joback Calculated Property |
| Cp,gas | 213.84 | J/mol×K | 683.44 | Joback Calculated Property |
| Cp,gas | 219.66 | J/mol×K | 726.54 | Joback Calculated Property |
| Cp,gas | 224.97 | J/mol×K | 769.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dichlorobenzenethiol.
Sources
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