- InChI
- InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
- InChI Key
- DTGGNTMERRTPLR-UHFFFAOYSA-N
- Formula
- C14H15N
- SMILES
- NC(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 197.28
- CAS
- 25611-78-3
- Other Names
-
- 1-Amino-1,2-diphenylethane
- Benzeneethanamine, «alpha»-phenyl-
- Phenethylamine, «alpha»-phenyl-
- «alpha»-Benzylbenzylamine
- «alpha»-Phenylphenethylamine
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 355.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 169.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 2.929 | Crippen Calculated Property | |
| McVol | 170.580 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1660.00] |
|
|
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Tboil | 645.17 | K | Joback Calculated Property |
| Tc | 896.97 | K | Joback Calculated Property |
| Tfus | 368.64 | K | Joback Calculated Property |
| Vc | 0.626 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.40; 518.04] | J/mol×K | [645.17; 896.97] |
|
| Cp,gas | 435.40 | J/mol×K | 645.17 | Joback Calculated Property |
| Cp,gas | 452.37 | J/mol×K | 687.14 | Joback Calculated Property |
| Cp,gas | 467.94 | J/mol×K | 729.10 | Joback Calculated Property |
| Cp,gas | 482.19 | J/mol×K | 771.07 | Joback Calculated Property |
| Cp,gas | 495.23 | J/mol×K | 813.04 | Joback Calculated Property |
| Cp,gas | 507.15 | J/mol×K | 855.01 | Joback Calculated Property |
| Cp,gas | 518.04 | J/mol×K | 896.97 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 583.70 | K | 100.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Diphenylethylamine.
Sources
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