- InChI
- InChI=1S/C17H16N2/c1-19(2)17-10-8-14(9-11-17)12-16(13-18)15-6-4-3-5-7-15/h3-12H,1-2H3/b16-12+
- InChI Key
- HYAJIHDALOHMPT-FOWTUZBSSA-N
- Formula
- C17H16N2
- SMILES
-
CN(C)c1ccc(C=C(C#N)c2ccccc2)cc
1 - Molecular Weight1
- 248.32
- CAS
- 1222-61-3
- 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 | 0.6026 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-9084.00; -9079.00] | kJ/mol |
|
| ΔcH°solid | -9084.00 | kJ/mol | NIST |
| ΔcH°solid | -9079.00 | kJ/mol | NIST |
| ΔfG° | 623.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 366.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [103.00; 104.00] | kJ/mol |
|
| ΔfH°solid | 104.00 | kJ/mol | NIST |
| ΔfH°solid | 103.00 | kJ/mol | NIST |
| ΔfusH° | 30.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.817 | Crippen Calculated Property | |
| McVol | 209.930 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Tboil | 658.77 | K | Relay (1.0) Calculated Property |
| Tc | 926.31 | K | Relay (1.0) Calculated Property |
| Tfus | 401.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.24; 642.90] | J/mol×K | [765.26; 1012.19] |
|
| Cp,gas | 569.24 | J/mol×K | 765.26 | Joback Calculated Property |
| Cp,gas | 584.02 | J/mol×K | 806.41 | Joback Calculated Property |
| Cp,gas | 597.63 | J/mol×K | 847.57 | Joback Calculated Property |
| Cp,gas | 610.20 | J/mol×K | 888.72 | Joback Calculated Property |
| Cp,gas | 621.85 | J/mol×K | 929.88 | Joback Calculated Property |
| Cp,gas | 632.71 | J/mol×K | 971.03 | Joback Calculated Property |
| Cp,gas | 642.90 | J/mol×K | 1012.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-dimethylamino-4-(2-cyano-2-phenylethenyl).
Sources
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