- InChI
- InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H
- InChI Key
- FEXIEMAAKBNTFK-UHFFFAOYSA-N
- Formula
- C5H4N2O2
- SMILES
- O=[N+]([O-])c1ccncc1
- Molecular Weight1
- 124.10
- CAS
- 1122-61-8
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4536 | Relay (... Calculated Property | |
| PAff | 874.30 | kJ/mol | NIST |
| BasG | 842.50 | kJ/mol | NIST |
| ΔfG° | 225.88 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 130.39 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.17 | kJ/mol | Relay (... Calculated Property |
| IE | [10.20; 10.40] | eV |
|
| IE | 10.40 | eV | NIST |
| IE | 10.20 ± 0.10 | eV | NIST |
| log10WS | -0.70 | Relay (... Calculated Property | |
| logPoct/wat | 0.990 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Pc | 5215.21 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 496.64 | K | Relay (... Calculated Property |
| Tc | 762.88 | K | Relay (... Calculated Property |
| Tfus | 401.87 | K | Relay (... Calculated Property |
| Vc | 0.291 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitropyridine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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