- InChI
- InChI=1S/C6H5ClS2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
- InChI Key
- HCDLDZCJYMCKQH-UHFFFAOYSA-N
- Formula
- C6H5ClS2
- SMILES
- Sc1ccc(Cl)c(S)c1
- Molecular Weight1
- 176.69
- CAS
- 58593-78-5
- Other Names
-
- 1,3-Benzenedithiol, 4-chloro-
- 4-chlorobenzene-1,3-dithiol
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 139.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 2.917 | Crippen Calculated Property | |
| McVol | 116.580 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Tboil | 536.47 | K | Joback Calculated Property |
| Tc | 815.10 | K | Joback Calculated Property |
| Tfus | 311.68 | K | Joback Calculated Property |
| Vc | 0.420 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.82; 245.61] | J/mol×K | [536.47; 815.10] | 
|
| Cp,gas | 201.82 | J/mol×K | 536.47 | Joback Calculated Property |
| Cp,gas | 210.80 | J/mol×K | 582.91 | Joback Calculated Property |
| Cp,gas | 219.07 | J/mol×K | 629.35 | Joback Calculated Property |
| Cp,gas | 226.65 | J/mol×K | 675.79 | Joback Calculated Property |
| Cp,gas | 233.58 | J/mol×K | 722.22 | Joback Calculated Property |
| Cp,gas | 239.89 | J/mol×K | 768.66 | Joback Calculated Property |
| Cp,gas | 245.61 | J/mol×K | 815.10 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 418.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 4-Chloro-meta-benzenedithiol.
Sources
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