- InChI
- InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
- InChI Key
- YXKTVDFXDRQTKV-UHFFFAOYSA-N
- Formula
- C17H21N
- SMILES
- CC(Cc1ccccc1)N(C)Cc1ccccc1
- Molecular Weight1
- 239.36
- CAS
- 156-08-1
- Other Names
-
- Benzeneethanamine, N,«alpha»-dimethyl-N-(phenylmethyl)-, (+)-
- Phenethylamine, N-benzyl-N,«alpha»-dimethyl-, (+)-
- N-Benzyl-N,«alpha»-dimethylphenethylamine
- Benzaphetamine
- Benzfetamine
- d-Benzphetamine
- N-Benzylmethamphetamine
- (+)-Benzphetamine
- 5411-22-3 (hydrochloride)
- 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° | 425.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.750 | Crippen Calculated Property | |
| McVol | 212.850 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Inp | [1806.00; 1860.00] |
|
|
| Inp | 1834.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1806.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Inp | 1855.00 | NIST | |
| I | [2392.00; 2392.00] |
|
|
| I | 2392.00 | NIST | |
| I | 2392.00 | NIST | |
| Tboil | 653.72 | K | Joback Calculated Property |
| Tc | 880.44 | K | Joback Calculated Property |
| Tfus | 351.66 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.96; 661.74] | J/mol×K | [653.72; 880.44] |
|
| Cp,gas | 563.96 | J/mol×K | 653.72 | Joback Calculated Property |
| Cp,gas | 583.53 | J/mol×K | 691.51 | Joback Calculated Property |
| Cp,gas | 601.67 | J/mol×K | 729.29 | Joback Calculated Property |
| Cp,gas | 618.47 | J/mol×K | 767.08 | Joback Calculated Property |
| Cp,gas | 634.02 | J/mol×K | 804.86 | Joback Calculated Property |
| Cp,gas | 648.41 | J/mol×K | 842.65 | Joback Calculated Property |
| Cp,gas | 661.74 | J/mol×K | 880.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzphetamine.
Sources
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