- InChI
- InChI=1S/C6H6N/c7-6-4-2-1-3-5-6/h1-5,7H
- InChI Key
- HSMPSHPWCOOUJH-UHFFFAOYSA-N
- Formula
- C6H6N
- SMILES
- [NH]c1ccccc1
- Molecular Weight1
- 92.12
- CAS
- 2348-49-4
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| PAff | 949.80 | kJ/mol | NIST |
| BasG | 917.40 | kJ/mol | NIST |
| EA | [1.61; 1.70] | eV |
|
| EA | 1.61 ± 0.00 | eV | NIST |
| EA | 1.70 ± 0.03 | eV | NIST |
| EA | 1.69 ± 0.09 | eV | NIST |
| ΔfG° | 253.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 178.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.52 | kJ/mol | Joback Calculated Property |
| IE | 8.30 ± 0.10 | eV | NIST |
| log10WS | 4.12 | Crippen Calculated Property | |
| logPoct/wat | 1.601 | Crippen Calculated Property | |
| McVol | 79.470 | ml/mol | McGowan Calculated Property |
| Pc | 5058.59 | kPa | Joback Calculated Property |
| Tboil | 412.83 | K | Joback Calculated Property |
| Tc | 626.79 | K | Joback Calculated Property |
| Tfus | 252.83 | K | Joback Calculated Property |
| Vc | 0.289 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.13; 183.21] | J/mol×K | [412.83; 626.79] |
|
| Cp,gas | 134.13 | J/mol×K | 412.83 | Joback Calculated Property |
| Cp,gas | 144.12 | J/mol×K | 448.49 | Joback Calculated Property |
| Cp,gas | 153.32 | J/mol×K | 484.15 | Joback Calculated Property |
| Cp,gas | 161.77 | J/mol×K | 519.81 | Joback Calculated Property |
| Cp,gas | 169.53 | J/mol×K | 555.47 | Joback Calculated Property |
| Cp,gas | 176.66 | J/mol×K | 591.13 | Joback Calculated Property |
| Cp,gas | 183.21 | J/mol×K | 626.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anilino radical.
Sources
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