- InChI
- InChI=1S/C8H7NS/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
- InChI Key
- PXZSANDJGNKIIA-UHFFFAOYSA-N
- Formula
- C8H7NS
- SMILES
- CSc1ccccc1C#N
- Molecular Weight1
- 149.21
- CAS
- 6609-54-7
- Other Names
-
- 2-(Methylthio)benzonitrile
- 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° | 285.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 223.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.280 | Crippen Calculated Property | |
| McVol | 117.550 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Tboil | 584.96 | K | Joback Calculated Property |
| Tc | 838.73 | K | Joback Calculated Property |
| Tfus | 318.25 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.04; 293.58] | J/mol×K | [584.96; 838.73] | 
|
| Cp,gas | 243.04 | J/mol×K | 584.96 | Joback Calculated Property |
| Cp,gas | 253.25 | J/mol×K | 627.25 | Joback Calculated Property |
| Cp,gas | 262.72 | J/mol×K | 669.55 | Joback Calculated Property |
| Cp,gas | 271.47 | J/mol×K | 711.84 | Joback Calculated Property |
| Cp,gas | 279.51 | J/mol×K | 754.14 | Joback Calculated Property |
| Cp,gas | 286.88 | J/mol×K | 796.43 | Joback Calculated Property |
| Cp,gas | 293.58 | J/mol×K | 838.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Methylmercapto)benzonitrile.
Sources
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