- InChI
- InChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2
- InChI Key
- ZHIZABUTNCVGJX-UHFFFAOYSA-N
- Formula
- C15H13ClO2S
- SMILES
- O=C(CSc1ccccc1)OCc1ccc(Cl)cc1
- Molecular Weight1
- 292.78
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 77.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.175 | Crippen Calculated Property | |
| McVol | 210.720 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | 2242.00 | NIST | |
| Tboil | 783.44 | K | Joback Calculated Property |
| Tc | 1039.18 | K | Joback Calculated Property |
| Tfus | 460.65 | K | Joback Calculated Property |
| Vc | 0.786 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.44; 602.00] | J/mol×K | [783.44; 1039.18] | 
|
| Cp,gas | 541.44 | J/mol×K | 783.44 | Joback Calculated Property |
| Cp,gas | 554.66 | J/mol×K | 826.06 | Joback Calculated Property |
| Cp,gas | 566.56 | J/mol×K | 868.69 | Joback Calculated Property |
| Cp,gas | 577.19 | J/mol×K | 911.31 | Joback Calculated Property |
| Cp,gas | 586.61 | J/mol×K | 953.93 | Joback Calculated Property |
| Cp,gas | 594.86 | J/mol×K | 996.55 | Joback Calculated Property |
| Cp,gas | 602.00 | J/mol×K | 1039.18 | Joback Calculated Property |
Similar Compounds
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Sources
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