- InChI
- InChI=1S/C10H13NOS/c1-8-2-4-9(5-3-8)11-10(12)6-7-13/h2-5,13H,6-7H2,1H3,(H,11,12)
- InChI Key
- GFSJBUDXTRNXAV-UHFFFAOYSA-N
- Formula
- C10H13NOS
- SMILES
- Cc1ccc(NC(=O)CCS)cc1
- Molecular Weight1
- 195.28
- CAS
- 78580-32-2
- 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° | 125.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.71 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.253 | Crippen Calculated Property | |
| McVol | 155.900 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Tboil | 626.76 | K | Joback Calculated Property |
| Tc | 861.35 | K | Joback Calculated Property |
| Tfus | 380.45 | K | Joback Calculated Property |
| Vc | 0.583 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.24; 438.25] | J/mol×K | [626.76; 861.35] | 
|
| Cp,gas | 371.24 | J/mol×K | 626.76 | Joback Calculated Property |
| Cp,gas | 384.61 | J/mol×K | 665.86 | Joback Calculated Property |
| Cp,gas | 397.04 | J/mol×K | 704.96 | Joback Calculated Property |
| Cp,gas | 408.58 | J/mol×K | 744.06 | Joback Calculated Property |
| Cp,gas | 419.27 | J/mol×K | 783.16 | Joback Calculated Property |
| Cp,gas | 429.15 | J/mol×K | 822.26 | Joback Calculated Property |
| Cp,gas | 438.25 | J/mol×K | 861.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-propionotoluidide, 3-mercapto-.
Sources
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