- InChI
- InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
- InChI Key
- YCWRFIYBUQBHJI-UHFFFAOYSA-N
- Formula
- C8H8N2
- SMILES
- N#CCc1ccc(N)cc1
- Molecular Weight1
- 132.16
- CAS
- 3544-25-0
- Other Names
-
- 4-Aminophenylacetonitrile
- p-Aminobenzyl cyanide
- p-Aminophenylacetonitrile
- Benzeneacetonitrile, 4-amino-
- 4-Aminophenylacetic acid nitrile
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5625 | Relay (1.0) Calculated Property | |
| ΔfG° | 318.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 227.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 ± 0.04 | eV | NIST |
| log10WS | -1.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 111.180 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Tboil | 585.20 | K | NIST |
| Tc | 812.97 | K | Relay (1.0) Calculated Property |
| Tfus | 318.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.50; 299.69] | J/mol×K | [588.71; 830.31] | 
|
| Cp,gas | 249.50 | J/mol×K | 588.71 | Joback Calculated Property |
| Cp,gas | 259.53 | J/mol×K | 628.98 | Joback Calculated Property |
| Cp,gas | 268.84 | J/mol×K | 669.24 | Joback Calculated Property |
| Cp,gas | 277.48 | J/mol×K | 709.51 | Joback Calculated Property |
| Cp,gas | 285.48 | J/mol×K | 749.78 | Joback Calculated Property |
| Cp,gas | 292.87 | J/mol×K | 790.04 | Joback Calculated Property |
| Cp,gas | 299.69 | J/mol×K | 830.31 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 450.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 4-Aminobenzyl cyanide.
Sources
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