- InChI
- InChI=1S/C15H17N/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
- InChI Key
- BWYYVSNVUCFQQN-UHFFFAOYSA-N
- Formula
- C15H17N
- SMILES
- NC(Cc1ccccc1)Cc1ccccc1
- Molecular Weight1
- 211.30
- Other Names
-
- 2-Propanamine, 1,3-diphenyl
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5389 | Relay (1.0) Calculated Property | |
| ΔfG° | 364.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 147.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.799 | Crippen Calculated Property | |
| McVol | 184.670 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | [1800.00; 1800.00] |
|
|
| Inp | 1800.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Tboil | 594.75 | K | Relay (1.0) Calculated Property |
| Tc | 836.85 | K | Relay (1.0) Calculated Property |
| Tfus | 341.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.23; 592.65] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.37480e+01 | |||
| Coefficient B | 1.33880e+00 | |||
| Coefficient C | -9.01200e-04 | |||
| Coefficient D | 2.28800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 297.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 356.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 408.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 452.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 490.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 522.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 550.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 573.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 592.65 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Benzylphenethylamine.
Sources
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