- 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
- 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 | 0.5616 | Relay (1.0) Calculated Property | |
| ΔfG° | 638.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 588.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.536 | Crippen Calculated Property | |
| McVol | 187.240 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Tboil | 609.28 | K | Relay (1.0) Calculated Property |
| Tc | 903.48 | K | Relay (1.0) Calculated Property |
| Tfus | 365.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.655 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.34; 546.85] | J/mol×K | [826.92; 1095.76] | 
|
| Cp,gas | 491.34 | J/mol×K | 826.92 | Joback Calculated Property |
| Cp,gas | 502.45 | J/mol×K | 871.73 | Joback Calculated Property |
| Cp,gas | 512.62 | J/mol×K | 916.53 | Joback Calculated Property |
| Cp,gas | 522.00 | J/mol×K | 961.34 | Joback Calculated Property |
| Cp,gas | 530.74 | J/mol×K | 1006.15 | Joback Calculated Property |
| Cp,gas | 538.97 | J/mol×K | 1050.95 | Joback Calculated Property |
| Cp,gas | 546.85 | J/mol×K | 1095.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malononitrile, (diphenylmethylene)-.
Sources
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