- InChI
- InChI=1S/C17H21N/c1-14(13-16-9-5-3-6-10-16)18-15(2)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3
- InChI Key
- DVWYTXULDUSWQH-UHFFFAOYSA-N
- Formula
- C17H21N
- SMILES
- CC(Cc1ccccc1)NC(C)c1ccccc1
- Molecular Weight1
- 239.36
- 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° | 401.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 121.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.968 | Crippen Calculated Property | |
| McVol | 212.850 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [1740.00; 1770.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Tboil | 691.01 | K | Joback Calculated Property |
| Tc | 923.93 | K | Joback Calculated Property |
| Tfus | 356.85 | K | Joback Calculated Property |
| Vc | 0.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.19; 675.34] | J/mol×K | [691.01; 923.93] |
|
| Cp,gas | 582.19 | J/mol×K | 691.01 | Joback Calculated Property |
| Cp,gas | 600.94 | J/mol×K | 729.83 | Joback Calculated Property |
| Cp,gas | 618.29 | J/mol×K | 768.65 | Joback Calculated Property |
| Cp,gas | 634.31 | J/mol×K | 807.47 | Joback Calculated Property |
| Cp,gas | 649.10 | J/mol×K | 846.29 | Joback Calculated Property |
| Cp,gas | 662.75 | J/mol×K | 885.11 | Joback Calculated Property |
| Cp,gas | 675.34 | J/mol×K | 923.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-methyl-N-(1-phenylethyl)-benzenethanamine.
Sources
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