- InChI
- InChI=1S/C9H8N2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5,11H2
- InChI Key
- BEWGVKVWWKCFHO-UHFFFAOYSA-N
- Formula
- C9H8N2O
- SMILES
- N#CCC(=O)c1ccc(N)cc1
- Molecular Weight1
- 160.17
- CAS
- 59443-94-6
- Other Names
-
- Benzenepropanenitrile, 4-amino-«beta»-oxo-
- Propionitrile, 3-(4-aminophenyl)-3-oxo-
- (p-Aminobenzoyl)acetonitrile
- 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 | 0.6272 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 66.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.365 | Crippen Calculated Property | |
| McVol | 126.840 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 623.05 | K | Relay (1.0) Calculated Property |
| Tc | 854.69 | K | Relay (1.0) Calculated Property |
| Tfus | 437.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.07; 351.42] | J/mol×K | [665.46; 908.44] | 
|
| Cp,gas | 304.07 | J/mol×K | 665.46 | Joback Calculated Property |
| Cp,gas | 313.71 | J/mol×K | 705.96 | Joback Calculated Property |
| Cp,gas | 322.60 | J/mol×K | 746.45 | Joback Calculated Property |
| Cp,gas | 330.78 | J/mol×K | 786.95 | Joback Calculated Property |
| Cp,gas | 338.29 | J/mol×K | 827.45 | Joback Calculated Property |
| Cp,gas | 345.15 | J/mol×K | 867.94 | Joback Calculated Property |
| Cp,gas | 351.42 | J/mol×K | 908.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4-Aminobenzoyl)acetonitrile.
Sources
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