- InChI
- InChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)11-5-8(10)12/h1-4H,5H2,(H2,10,12)
- InChI Key
- YVAJKXSZBMTZMX-UHFFFAOYSA-N
- Formula
- C8H8ClNOS
- SMILES
- NC(=S)COc1ccccc1Cl
- Molecular Weight1
- 201.67
- CAS
- 35370-94-6
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5577 | Relay (... Calculated Property | |
| ΔfG° | 185.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.97 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -2.99 | Relay (... Calculated Property | |
| logPoct/wat | 2.005 | Crippen Calculated Property | |
| McVol | 139.960 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 562.31 | K | Relay (... Calculated Property |
| Tc | 844.26 | K | Relay (... Calculated Property |
| Tfus | 398.82 | K | Relay (... Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.94; 349.76] | J/mol×K | [616.52; 868.49] | 
|
| Cp,gas | 299.94 | J/mol×K | 616.52 | Joback Calculated Property |
| Cp,gas | 310.05 | J/mol×K | 658.51 | Joback Calculated Property |
| Cp,gas | 319.34 | J/mol×K | 700.51 | Joback Calculated Property |
| Cp,gas | 327.89 | J/mol×K | 742.50 | Joback Calculated Property |
| Cp,gas | 335.76 | J/mol×K | 784.50 | Joback Calculated Property |
| Cp,gas | 343.03 | J/mol×K | 826.49 | Joback Calculated Property |
| Cp,gas | 349.76 | J/mol×K | 868.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-Chlorophenoxy)thioacetamide.
Sources
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