- InChI
- InChI=1S/C11H11ClO2S/c12-7-4-8-14-11(13)9-15-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+
- InChI Key
- RUHVHMBFVMISGJ-QPJJXVBHSA-N
- Formula
- C11H11ClO2S
- SMILES
- O=C(CSc1ccccc1)OCC=CCl
- Molecular Weight1
- 242.72
- 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° | 21.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 3.074 | Crippen Calculated Property | |
| McVol | 173.820 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | 1765.00 | NIST | |
| Tboil | 664.42 | K | Joback Calculated Property |
| Tc | 904.24 | K | Joback Calculated Property |
| Tfus | 371.55 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.94; 463.70] | J/mol×K | [664.42; 904.24] | 
|
| Cp,gas | 401.94 | J/mol×K | 664.42 | Joback Calculated Property |
| Cp,gas | 414.55 | J/mol×K | 704.39 | Joback Calculated Property |
| Cp,gas | 426.17 | J/mol×K | 744.36 | Joback Calculated Property |
| Cp,gas | 436.86 | J/mol×K | 784.33 | Joback Calculated Property |
| Cp,gas | 446.65 | J/mol×K | 824.30 | Joback Calculated Property |
| Cp,gas | 455.58 | J/mol×K | 864.27 | Joback Calculated Property |
| Cp,gas | 463.70 | J/mol×K | 904.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, 3-chloroprop-2-enyl ester.
Sources
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