- InChI
- InChI=1S/C16H19N/c1-14(2)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
- InChI Key
- OJKDJKUSLNKNEL-UHFFFAOYSA-N
- Formula
- C16H19N
- SMILES
- CC(C)N(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 225.33
- CAS
- 7262-75-1
- 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° | 417.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 161.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 4.102 | Crippen Calculated Property | |
| McVol | 198.760 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | 1670.00 | NIST | |
| Tboil | 630.84 | K | Joback Calculated Property |
| Tc | 862.00 | K | Joback Calculated Property |
| Tfus | 340.39 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.02; 607.18] | J/mol×K | [630.84; 862.00] | 
|
| Cp,gas | 511.02 | J/mol×K | 630.84 | Joback Calculated Property |
| Cp,gas | 530.37 | J/mol×K | 669.37 | Joback Calculated Property |
| Cp,gas | 548.26 | J/mol×K | 707.89 | Joback Calculated Property |
| Cp,gas | 564.80 | J/mol×K | 746.42 | Joback Calculated Property |
| Cp,gas | 580.07 | J/mol×K | 784.95 | Joback Calculated Property |
| Cp,gas | 594.17 | J/mol×K | 823.47 | Joback Calculated Property |
| Cp,gas | 607.18 | J/mol×K | 862.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lefetamine.
Sources
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