- InChI
- InChI=1S/C9H6N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H
- InChI Key
- OFCTVAYVCDCQDA-UHFFFAOYSA-N
- Formula
- C9H6N2
- SMILES
- N#CC(C#N)c1ccccc1
- Molecular Weight1
- 142.16
- CAS
- 3041-40-5
- Other Names
-
- Phenyl-malonitril
- Phenylmalononitrile
- Propanedinitrile, phenyl-
- 2-Phenylmalononitrile
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 401.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 331.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 1.817 | Crippen Calculated Property | |
| McVol | 116.670 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 635.72 | K | Joback Calculated Property |
| Tc | 883.30 | K | Joback Calculated Property |
| Tfus | 332.59 | K | Joback Calculated Property |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.50; 304.78] | J/mol×K | [635.72; 883.30] | 
|
| Cp,gas | 260.50 | J/mol×K | 635.72 | Joback Calculated Property |
| Cp,gas | 269.59 | J/mol×K | 676.98 | Joback Calculated Property |
| Cp,gas | 277.93 | J/mol×K | 718.25 | Joback Calculated Property |
| Cp,gas | 285.57 | J/mol×K | 759.51 | Joback Calculated Property |
| Cp,gas | 292.57 | J/mol×K | 800.77 | Joback Calculated Property |
| Cp,gas | 298.95 | J/mol×K | 842.04 | Joback Calculated Property |
| Cp,gas | 304.78 | J/mol×K | 883.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malononitrile, phenyl-.
Sources
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