- InChI
- InChI=1S/C17H15ClN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+
- InChI Key
- JYSGNKFGNNTQNO-RVDMUPIBSA-N
- Formula
- C17H15ClN2
- SMILES
-
CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc
2)cc1 - Molecular Weight1
- 282.77
- CAS
- 2958-46-5
- 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° | 601.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 380.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 222.170 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Tboil | 807.67 | K | Joback Calculated Property |
| Tc | 1057.23 | K | Joback Calculated Property |
| Tfus | 467.57 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.12; 658.24] | J/mol×K | [807.67; 1057.23] | 
|
| Cp,gas | 591.12 | J/mol×K | 807.67 | Joback Calculated Property |
| Cp,gas | 604.50 | J/mol×K | 849.26 | Joback Calculated Property |
| Cp,gas | 616.84 | J/mol×K | 890.86 | Joback Calculated Property |
| Cp,gas | 628.26 | J/mol×K | 932.45 | Joback Calculated Property |
| Cp,gas | 638.89 | J/mol×K | 974.04 | Joback Calculated Property |
| Cp,gas | 648.84 | J/mol×K | 1015.63 | Joback Calculated Property |
| Cp,gas | 658.24 | J/mol×K | 1057.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Dimethylaminobenzylidene-p-chlorophenylacetonitrile.
Sources
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