- InChI
- InChI=1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
- InChI Key
- DPVHBXFSKLKYIQ-UHFFFAOYSA-N
- Formula
- C15H13N
- SMILES
- CC(C#N)(c1ccccc1)c1ccccc1
- Molecular Weight1
- 207.27
- CAS
- 5558-67-8
- Other Names
-
- «alpha»,«alpha»-Diphenylpropionitrile
- Benzeneacetonitrile, «alpha»-methyl-«alpha»-phenyl-
- 2,2-diphenylpropiononitrile
- 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).
- 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° | 436.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 276.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.516 | Crippen Calculated Property | |
| McVol | 176.070 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Tboil | 694.81 | K | Joback Calculated Property |
| Tc | 957.17 | K | Joback Calculated Property |
| Tfus | 379.06 | K | Joback Calculated Property |
| Vc | 0.674 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.88; 525.56] | J/mol×K | [694.81; 957.17] | 
|
| Cp,gas | 453.88 | J/mol×K | 694.81 | Joback Calculated Property |
| Cp,gas | 468.85 | J/mol×K | 738.54 | Joback Calculated Property |
| Cp,gas | 482.43 | J/mol×K | 782.26 | Joback Calculated Property |
| Cp,gas | 494.74 | J/mol×K | 825.99 | Joback Calculated Property |
| Cp,gas | 505.94 | J/mol×K | 869.71 | Joback Calculated Property |
| Cp,gas | 516.16 | J/mol×K | 913.44 | Joback Calculated Property |
| Cp,gas | 525.56 | J/mol×K | 957.17 | Joback Calculated Property |
Similar Compounds
![4-[1-(4-Aminophenyl)-1-methylethyl]phenylamine.](data:image/png;base64,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)
Find more compounds similar to 2,2-Diphenylpropionitrile.
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