- InChI
- InChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
- InChI Key
- JLCDKDGHTWGGQM-UHFFFAOYSA-N
- Formula
- C16H19N
- SMILES
- CC(Cc1ccccc1)NCc1ccccc1
- Molecular Weight1
- 225.33
- CAS
- 57378-23-1
- Other Names
-
- Benzylamphetamine
- 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.
- I : 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° | 395.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 147.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.407 | Crippen Calculated Property | |
| McVol | 198.760 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Inp | [1784.00; 1784.00] |
|
|
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| I | [2390.00; 2390.00] |
|
|
| I | 2390.00 | NIST | |
| I | 2390.00 | NIST | |
| I | 2390.00 | NIST | |
| Tboil | 668.57 | K | Joback Calculated Property |
| Tc | 901.43 | K | Joback Calculated Property |
| Tfus | 360.58 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.13; 618.24] | J/mol×K | [668.57; 901.43] |
|
| Cp,gas | 528.13 | J/mol×K | 668.57 | Joback Calculated Property |
| Cp,gas | 546.26 | J/mol×K | 707.38 | Joback Calculated Property |
| Cp,gas | 563.04 | J/mol×K | 746.19 | Joback Calculated Property |
| Cp,gas | 578.54 | J/mol×K | 785.00 | Joback Calculated Property |
| Cp,gas | 592.85 | J/mol×K | 823.81 | Joback Calculated Property |
| Cp,gas | 606.06 | J/mol×K | 862.62 | Joback Calculated Property |
| Cp,gas | 618.24 | J/mol×K | 901.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Benzylamphetamine.
Sources
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