- 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
-
- 2-Phenylmalononitrile
- Phenyl-malonitril
- Phenylmalononitrile
- Propanedinitrile, phenyl-
- 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 | 0.4732 | Relay (1.0) Calculated Property | |
| ΔfG° | 401.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 394.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) 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 | 502.07 | K | Relay (1.0) Calculated Property |
| Tc | 747.10 | K | Relay (1.0) Calculated Property |
| Tfus | 371.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.59; 318.62] | 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 | -6.88000e+00 | |||
| Coefficient B | 6.55400e-01 | |||
| Coefficient C | -4.38200e-04 | |||
| Coefficient D | 1.08300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 174.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 204.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 251.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 269.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 285.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 298.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 309.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 318.62 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Malononitrile, phenyl-.
Sources
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