- InChI
- InChI=1S/C9H13NS/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
- InChI Key
- OTIDSYZPXOTMOC-UHFFFAOYSA-N
- Formula
- C9H13NS
- SMILES
- CSc1cccc(N(C)C)c1
- Molecular Weight1
- 167.27
- 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° | 271.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 105.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 2.475 | Crippen Calculated Property | |
| McVol | 140.240 | ml/mol | McGowan Calculated Property |
| Pc | 3261.58 | kPa | Joback Calculated Property |
| Inp | 1554.20 | NIST | |
| Tboil | 518.20 | K | Joback Calculated Property |
| Tc | 746.36 | K | Joback Calculated Property |
| Tfus | 297.00 | K | Joback Calculated Property |
| Vc | 0.503 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.54; 374.37] | J/mol×K | [518.20; 746.36] | 
|
| Cp,gas | 298.54 | J/mol×K | 518.20 | Joback Calculated Property |
| Cp,gas | 313.41 | J/mol×K | 556.23 | Joback Calculated Property |
| Cp,gas | 327.35 | J/mol×K | 594.25 | Joback Calculated Property |
| Cp,gas | 340.37 | J/mol×K | 632.28 | Joback Calculated Property |
| Cp,gas | 352.53 | J/mol×K | 670.30 | Joback Calculated Property |
| Cp,gas | 363.85 | J/mol×K | 708.33 | Joback Calculated Property |
| Cp,gas | 374.37 | J/mol×K | 746.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminothiophenol, N,N,S-trimethyl-.
Sources
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