- InChI
- InChI=1S/C11H17NS/c1-10(12-7-8-13)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
- InChI Key
- GKRABYJWCXOEQF-UHFFFAOYSA-N
- Formula
- C11H17NS
- SMILES
- CC(Cc1ccccc1)NCCS
- Molecular Weight1
- 195.32
- CAS
- 20640-10-2
- 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° | 270.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 52.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.137 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Tboil | 590.35 | K | Joback Calculated Property |
| Tc | 817.31 | K | Joback Calculated Property |
| Tfus | 314.27 | K | Joback Calculated Property |
| Vc | 0.626 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.25; 486.67] | J/mol×K | [590.35; 817.31] | 
|
| Cp,gas | 404.25 | J/mol×K | 590.35 | Joback Calculated Property |
| Cp,gas | 420.51 | J/mol×K | 628.18 | Joback Calculated Property |
| Cp,gas | 435.69 | J/mol×K | 666.00 | Joback Calculated Property |
| Cp,gas | 449.85 | J/mol×K | 703.83 | Joback Calculated Property |
| Cp,gas | 463.03 | J/mol×K | 741.65 | Joback Calculated Property |
| Cp,gas | 475.29 | J/mol×K | 779.48 | Joback Calculated Property |
| Cp,gas | 486.67 | J/mol×K | 817.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Alpha-methylphenethylamino)ethanethiol.
Sources
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