- InChI
- InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
- InChI Key
- YBAZINRZQSAIAY-UHFFFAOYSA-N
- Formula
- C7H6N2
- SMILES
- N#Cc1ccc(N)cc1
- Molecular Weight1
- 118.14
- CAS
- 873-74-5
- Other Names
-
- Benzonitrile, p-amino-
- p-Aminobenzonitrile
- p-Cyanoaniline
- 1-Amino-4-cyanobenzene
- 4-Aminobenzonitrile
- 4-Cyanoaniline
- Aniline, p-cyano-
- 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 |
|---|---|---|---|
| ΔfG° | 310.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 235.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.23 | kJ/mol | Joback Calculated Property |
| IE | [8.17; 8.64] | eV |
|
| IE | 8.17 | eV | NIST |
| IE | 8.64 ± 0.04 | eV | NIST |
| IE | 8.51 | eV | NIST |
| log10WS | -1.46 | Crippen Calculated Property | |
| logPoct/wat | 1.140 | Crippen Calculated Property | |
| McVol | 97.090 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Tboil | 565.83 | K | Joback Calculated Property |
| Tc | 812.67 | K | Joback Calculated Property |
| Tfus | 359.40 ± 0.50 | K | NIST |
| Vc | 0.374 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.89; 250.02] | J/mol×K | [565.83; 812.67] |
|
| Cp,gas | 205.89 | J/mol×K | 565.83 | Joback Calculated Property |
| Cp,gas | 214.76 | J/mol×K | 606.97 | Joback Calculated Property |
| Cp,gas | 222.99 | J/mol×K | 648.11 | Joback Calculated Property |
| Cp,gas | 230.59 | J/mol×K | 689.25 | Joback Calculated Property |
| Cp,gas | 237.61 | J/mol×K | 730.39 | Joback Calculated Property |
| Cp,gas | 244.08 | J/mol×K | 771.53 | Joback Calculated Property |
| Cp,gas | 250.02 | J/mol×K | 812.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 4-amino-.
Sources
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