- InChI
- InChI=1S/C16H10N2/c17-11-15(12-18)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H
- InChI Key
- KOQMBAGMXLUQDS-UHFFFAOYSA-N
- Formula
- C16H10N2
- SMILES
- N#CC(C#N)=C(c1ccccc1)c1ccccc1
- Molecular Weight1
- 230.26
- CAS
- 10394-96-4
- Other Names
-
- Diphenylmethylenemalononitrile
- «alpha»-Cyano-«beta»,«beta»-diphenylacrylonitrile
- «alpha»-Phenylbenzalmalononitrile
- Dicyan
- Dicyan (antioxidant)
- Propanedinitrile, (diphenylmethylene)-
- TsN 2
- 1,1-Dicyano-2,2-diphenylethylene
- 1,1-Diphenyl-2,2-dicyanoethylene
- 1,1-Dicyano-2,2-diphenyl-ethene
- Benzhydrylidene malononitrile
- NSC 509569
- Malonitrile, diphenylmethylene
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 588.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.87 | kJ/mol | Joback Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.536 | Crippen Calculated Property | |
| McVol | 187.240 | ml/mol | McGowan Calculated Property |
| Tboil | 609.28 | K | Relay (1.0) Calculated Property |
| Tfus | 361.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.44; 529.57] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.90300e+01 | |||
| Coefficient B | 1.25540e+00 | |||
| Coefficient C | -9.35400e-04 | |||
| Coefficient D | 2.68600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 279.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 331.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 413.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 445.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 472.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 513.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 529.57 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Malononitrile, (diphenylmethylene)-.
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
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