- InChI
- InChI=1S/C6H4N2O4/c9-6(10)5-2-1-4(3-7-5)8(11)12/h1-3H,(H,9,10)
- InChI Key
- QKYRCTVBMNXTBT-UHFFFAOYSA-N
- Formula
- C6H4N2O4
- SMILES
- O=C(O)c1ccc([N+](=O)[O-])cn1
- Molecular Weight1
- 168.11
- CAS
- 30651-24-2
- Other Names
-
- Picolinic acid, 5-nitro-
- 5-Nitro-2-pyridinecarboxylic acid
- 5-Nitropicolinic acid
- ω : Acentric Factor.
- 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 | 0.7673 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -219.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.688 | Crippen Calculated Property | |
| McVol | 106.480 | ml/mol | McGowan Calculated Property |
| Pc | 4871.53 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 556.89 | K | Relay (1.0) Calculated Property |
| Tc | 854.04 | K | Relay (1.0) Calculated Property |
| Tfus | 449.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyridinecarboxylic acid, 5-nitro-.
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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