- InChI
- InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11+
- InChI Key
- VFOKYTYWXOYPOX-RVDMUPIBSA-N
- Formula
- C15H11N
- SMILES
- N#CC(=Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 205.25
- CAS
- 2510-95-4
- Other Names
-
- Acrylonitrile, 2,3-diphenyl-
- «alpha»-Cyanostilbene
- «alpha»-Phenylcinnamonitrile
- «alpha»-Stilbenecarbonitrile
- Benzylidenephenylacetonitrile
- Cinnamonitrile, «alpha»-phenyl-
- Stilbene, «alpha»-cyano-
- 2,3-Diphenylacrilonitrile
- 2,3-Diphenylacrylonitrile
- «alpha»,«beta»-Diphenyl-«alpha»-cyanoethylene
- «alpha»,«beta»-Diphenylacrylonitrile
- USAF A-9789
- Benzal-(benzyl-cyanid)
- F 2387
- 2,3-Diphenyl-2-propenenitrile
- NSC 12489
- NSC 2018
- 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 | 0.4785 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-7831.00; -7827.00] | kJ/mol |
|
| ΔcH°solid | -7831.00 | kJ/mol | NIST |
| ΔcH°solid | -7827.00 | kJ/mol | NIST |
| ΔfG° | 505.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 402.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [352.00; 353.00] | kJ/mol |
|
| ΔfH°solid | 353.00 | kJ/mol | NIST |
| ΔfH°solid | 352.00 | kJ/mol | NIST |
| ΔfusH° | 23.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.751 | Crippen Calculated Property | |
| McVol | 171.770 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Tboil | 613.04 | K | Relay (1.0) Calculated Property |
| Tc | 890.09 | K | Relay (1.0) Calculated Property |
| Tfus | 339.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.10; 494.79] | J/mol×K | [702.08; 964.16] |
|
| Cp,gas | 427.10 | J/mol×K | 702.08 | Joback Calculated Property |
| Cp,gas | 441.05 | J/mol×K | 745.76 | Joback Calculated Property |
| Cp,gas | 453.76 | J/mol×K | 789.44 | Joback Calculated Property |
| Cp,gas | 465.35 | J/mol×K | 833.12 | Joback Calculated Property |
| Cp,gas | 475.97 | J/mol×K | 876.80 | Joback Calculated Property |
| Cp,gas | 485.74 | J/mol×K | 920.48 | Joback Calculated Property |
| Cp,gas | 494.79 | J/mol×K | 964.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetonitrile, «alpha»-(phenylmethylene)-.
Sources
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