- InChI
- InChI=1S/C7H7ClS/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
- InChI Key
- YIUPEFSJLWXHJR-UHFFFAOYSA-N
- Formula
- C7H7ClS
- SMILES
- Cc1cc(Cl)ccc1S
- Molecular Weight1
- 158.65
- CAS
- 17178-01-7
- 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° | 118.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.937 | Crippen Calculated Property | |
| McVol | 114.320 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Tboil | 496.49 | K | Joback Calculated Property |
| Tc | 744.58 | K | Joback Calculated Property |
| Tfus | 286.49 | K | Joback Calculated Property |
| Vc | 0.422 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.18; 256.17] | J/mol×K | [496.49; 744.58] | 
|
| Cp,gas | 204.18 | J/mol×K | 496.49 | Joback Calculated Property |
| Cp,gas | 214.44 | J/mol×K | 537.84 | Joback Calculated Property |
| Cp,gas | 224.02 | J/mol×K | 579.19 | Joback Calculated Property |
| Cp,gas | 232.96 | J/mol×K | 620.54 | Joback Calculated Property |
| Cp,gas | 241.28 | J/mol×K | 661.88 | Joback Calculated Property |
| Cp,gas | 249.01 | J/mol×K | 703.23 | Joback Calculated Property |
| Cp,gas | 256.17 | J/mol×K | 744.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-2-methylthiophenol.
Sources
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