- InChI
- InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
- InChI Key
- YKFROQCFVXOUPW-UHFFFAOYSA-N
- Formula
- C7H9NS
- SMILES
- CSc1ccc(N)cc1
- Molecular Weight1
- 139.22
- CAS
- 104-96-1
- Other Names
-
- 4-(Methylthio)aniline
- Benzenamine, 4-(methylthio)-
- p-(Methylthio)aniline
- p-Aminophenyl methyl sulfide
- p-Aminothioanisole
- p-Thioanisidine
- p-Thiomethoxyaniline
- Aniline, p-(methylthio)-
- 4-(Methylthio)benzenamine
- 4-Aminothioanisole
- (4-(Methylthio)phenyl)amine
- NSC 75842
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 210.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 112.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.57 | kJ/mol | Joback Calculated Property |
| IE | [7.60; 7.60] | eV |
|
| IE | 7.60 | eV | NIST |
| IE | 7.60 ± 0.01 | eV | NIST |
| log10WS | -1.85 | Crippen 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 | [545.50; 545.70] | K |
|
| Tboil | 545.70 | K | NIST |
| Tboil | 545.50 ± 0.50 | K | NIST |
| Tc | 783.92 | K | Joback Calculated Property |
| Tfus | 325.25 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [412.00; 413.20] | K | [2.00; 2.00] |
|
| Tboilr | 413.20 | K | 2.00 | NIST |
| Tboilr | 412.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Methylmercaptoaniline.
Sources
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