- InChI
- InChI=1S/C10H6N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-6H
- InChI Key
- WAVNYPVYNSIHNC-UHFFFAOYSA-N
- Formula
- C10H6N2
- SMILES
- N#CC(C#N)=Cc1ccccc1
- Molecular Weight1
- 154.17
- Other Names
-
- Malononitrile, benzylidene-
- «alpha»-Cyanocinnamonitrile
- «beta»,«beta»-Dicyanostyrene
- Benzalmalononitrile
- Benzylidenemalonodinitrile
- Benzylidenemalononitrile
- 2-Phenyl-1,1-dicyanoethylene
- 2,2-Dicyano-1-phenylethylene
- Benzalmalonitrile
- BMN
- Benzal-malonitril
- F 2370
- 1,1-Dicyano-2-phenylethene
- 1,1-Dicyano-2-phenylethylene
- 2-Cyano-3-phenylacrylonitrile
- 2-Phenyl-1,1-dicyanoethene
- Malonodinitrile, benzylidene
- Benzylidenemalonitrile
- NSC 490
- Propanedinitrile, 2-(phenylmethylene)-
- «beta»,«beta»-Styrenedicarbonitrile
- beta,beta-styrenedicarbonitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 494.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.117 | Crippen Calculated Property | |
| McVol | 126.460 | ml/mol | McGowan Calculated Property |
| Inp | [1473.00; 1487.00] |
|
|
| Inp | 1487.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Tboil | 528.34 | K | Relay (1.0) Calculated Property |
| Tfus | 298.36 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.38; 327.76] | J/mol×K | [663.08; 914.90] |
|
| Cp,gas | 283.38 | J/mol×K | 663.08 | Joback Calculated Property |
| Cp,gas | 292.43 | J/mol×K | 705.05 | Joback Calculated Property |
| Cp,gas | 300.72 | J/mol×K | 747.02 | Joback Calculated Property |
| Cp,gas | 308.32 | J/mol×K | 788.99 | Joback Calculated Property |
| Cp,gas | 315.31 | J/mol×K | 830.96 | Joback Calculated Property |
| Cp,gas | 321.77 | J/mol×K | 872.93 | Joback Calculated Property |
| Cp,gas | 327.76 | J/mol×K | 914.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedinitrile, (phenylmethylene)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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