- InChI
- InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
- InChI Key
- WBRPQQSADOCKCH-UHFFFAOYSA-N
- Formula
- C7H9NS
- SMILES
- CSc1ccccc1N
- Molecular Weight1
- 139.22
- CAS
- 2987-53-3
- Other Names
-
- 2-(Methylthio)aniline
- o-Thioanisidine
- Benzenamine, 2-(methylthio)-
- 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 | 0.4182 | Relay (1.0) Calculated Property | |
| ΔfG° | 210.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.991 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 4444.44 | kPa | Joback Calculated Property |
| Tboil | 507.20 | K | NIST |
| Tc | 768.43 | K | Relay (1.0) Calculated Property |
| Tfus | 283.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.375 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.94; 290.64] | J/mol×K | [532.53; 783.92] | 
|
| Cp,gas | 231.94 | J/mol×K | 532.53 | Joback Calculated Property |
| Cp,gas | 243.64 | J/mol×K | 574.43 | Joback Calculated Property |
| Cp,gas | 254.54 | J/mol×K | 616.33 | Joback Calculated Property |
| Cp,gas | 264.66 | J/mol×K | 658.23 | Joback Calculated Property |
| Cp,gas | 274.04 | J/mol×K | 700.13 | Joback Calculated Property |
| Cp,gas | 282.69 | J/mol×K | 742.02 | Joback Calculated Property |
| Cp,gas | 290.64 | J/mol×K | 783.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylmercaptoaniline.
Sources
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