- InChI
- InChI=1S/C15H15NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)
- InChI Key
- QANIOCTWVUAMON-UHFFFAOYSA-N
- Formula
- C15H15NO2S
- SMILES
- COc1ccc(NC(=O)CSc2ccccc2)cc1
- Molecular Weight1
- 273.35
- 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° | 179.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -40.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.426 | Crippen Calculated Property | |
| McVol | 208.460 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [2464.00; 2464.00] |
|
|
| Inp | 2464.00 | NIST | |
| Inp | 2464.00 | NIST | |
| Tboil | 796.18 | K | Joback Calculated Property |
| Tc | 1046.47 | K | Joback Calculated Property |
| Tfus | 483.39 | K | Joback Calculated Property |
| Vc | 0.772 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.58; 632.50] | J/mol×K | [796.18; 1046.47] |
|
| Cp,gas | 569.58 | J/mol×K | 796.18 | Joback Calculated Property |
| Cp,gas | 583.24 | J/mol×K | 837.89 | Joback Calculated Property |
| Cp,gas | 595.57 | J/mol×K | 879.61 | Joback Calculated Property |
| Cp,gas | 606.61 | J/mol×K | 921.32 | Joback Calculated Property |
| Cp,gas | 616.41 | J/mol×K | 963.04 | Joback Calculated Property |
| Cp,gas | 625.02 | J/mol×K | 1004.75 | Joback Calculated Property |
| Cp,gas | 632.50 | J/mol×K | 1046.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-methoxyphenyl)-2-phenylthio-.
Sources
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