- InChI
- InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1
- InChI Key
- ZYZHMSJNPCYUTB-ZDUSSCGKSA-N
- Formula
- C15H17N
- SMILES
- CC(NCc1ccccc1)c1ccccc1
- Molecular Weight1
- 211.30
- CAS
- 38235-77-7
- Other Names
-
- (S)-N-benzyl-1-phenylethylamine
- Benzenemethanamine, «alpha»-methyl-N-(phenylmethyl)-, («alpha»R)-
- Benzenemethanamine, «alpha»-methyl-N-(phenylmethyl)-, («alpha»R)-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| ω | 0.4509 | Relay (1.0) Calculated Property | |
| ΔfG° | 387.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 163.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.537 | Crippen Calculated Property | |
| McVol | 184.670 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Tboil | 568.05 | K | Relay (1.0) Calculated Property |
| Tc | 820.88 | K | Relay (1.0) Calculated Property |
| Tfus | 275.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.81; 563.92] | J/mol×K | [645.69; 883.35] | 
|
| Cp,gas | 475.81 | J/mol×K | 645.69 | Joback Calculated Property |
| Cp,gas | 493.64 | J/mol×K | 685.30 | Joback Calculated Property |
| Cp,gas | 510.10 | J/mol×K | 724.91 | Joback Calculated Property |
| Cp,gas | 525.27 | J/mol×K | 764.52 | Joback Calculated Property |
| Cp,gas | 539.24 | J/mol×K | 804.13 | Joback Calculated Property |
| Cp,gas | 552.10 | J/mol×K | 843.74 | Joback Calculated Property |
| Cp,gas | 563.92 | J/mol×K | 883.35 | Joback Calculated Property |
| ρl | 1007.90 | kg/m3 | 298.15 | Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid methyl ester at T = 298.15 K |
Similar Compounds
Find more compounds similar to (+)-N-Benzyl-«alpha»-phenethylamine.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid methyl ester at T = 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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