- InChI
- InChI=1S/C15H10ClN/c16-15-8-6-13(7-9-15)14(11-17)10-12-4-2-1-3-5-12/h1-10H/b14-10+
- InChI Key
- JJGLLZWUWIKTAG-GXDHUFHOSA-N
- Formula
- C15H10ClN
- SMILES
- N#CC(=Cc1ccccc1)c1ccc(Cl)cc1
- Molecular Weight1
- 239.70
- CAS
- 3695-93-0
- Other Names
-
- Acrylonitrile, 2-(p-chlorophenyl)-3-phenyl-
- Benzal-(4'-chlor-benzyl-cyanid)
- Benzeneacetonitrile, 4-chloro-«alpha»-(phenylmethylene)-
- 2-(p-Chlorophenyl)-3-phenylacrylonitrile
- F 2389
- alpha-(p-Chlorophenyl)cinnamonitrile
- ω : Acentric Factor.
- 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).
- 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 | 0.5048 | Relay (... Calculated Property | |
| ΔfG° | 483.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 337.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -5.45 | Relay (... Calculated Property | |
| logPoct/wat | 4.404 | Crippen Calculated Property | |
| McVol | 184.010 | ml/mol | McGowan Calculated Property |
| Pc | 2460.47 | kPa | Joback Calculated Property |
| Tboil | 633.46 | K | Relay (... Calculated Property |
| Tc | 900.99 | K | Relay (... Calculated Property |
| Tfus | 372.23 | K | Relay (... Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.90; 508.65] | J/mol×K | [744.49; 1009.08] | 
|
| Cp,gas | 447.90 | J/mol×K | 744.49 | Joback Calculated Property |
| Cp,gas | 460.36 | J/mol×K | 788.59 | Joback Calculated Property |
| Cp,gas | 471.71 | J/mol×K | 832.69 | Joback Calculated Property |
| Cp,gas | 482.09 | J/mol×K | 876.79 | Joback Calculated Property |
| Cp,gas | 491.62 | J/mol×K | 920.88 | Joback Calculated Property |
| Cp,gas | 500.43 | J/mol×K | 964.98 | Joback Calculated Property |
| Cp,gas | 508.65 | J/mol×K | 1009.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-(p-Chlorophenyl)cinnamonitrile.
Sources
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