- InChI
- InChI=1S/C20H22N2/c1-15(2)17-7-9-18(10-8-17)19(14-21)13-16-5-11-20(12-6-16)22(3)4/h5-13,15H,1-4H3/b19-13+
- InChI Key
- NGFFOQFGBWGSLU-CPNJWEJPSA-N
- Formula
- C20H22N2
- SMILES
-
CC(C)c1ccc(C(C#N)=Cc2ccc(N(C)C
)cc2)cc1 - Molecular Weight1
- 290.40
- CAS
- 53407-79-7
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 | 0.6794 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -11083.00 | kJ/mol | NIST |
| ΔfG° | 636.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 269.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 68.58 | kJ/mol | NIST |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.940 | Crippen Calculated Property | |
| McVol | 252.200 | ml/mol | McGowan Calculated Property |
| Pc | 1641.76 | kPa | Joback Calculated Property |
| Tboil | 672.54 | K | Relay (1.0) Calculated Property |
| Tc | 940.96 | K | Relay (1.0) Calculated Property |
| Tfus | 401.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.86; 814.66] | J/mol×K | [838.44; 1077.04] | 
|
| Cp,gas | 734.86 | J/mol×K | 838.44 | Joback Calculated Property |
| Cp,gas | 750.56 | J/mol×K | 878.21 | Joback Calculated Property |
| Cp,gas | 765.15 | J/mol×K | 917.97 | Joback Calculated Property |
| Cp,gas | 778.74 | J/mol×K | 957.74 | Joback Calculated Property |
| Cp,gas | 791.44 | J/mol×K | 997.51 | Joback Calculated Property |
| Cp,gas | 803.38 | J/mol×K | 1037.27 | Joback Calculated Property |
| Cp,gas | 814.66 | J/mol×K | 1077.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Dimethylaminobenzylidene-p-isopropylphenylacetonitrile.
Sources
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