- InChI
- InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
- InChI Key
- BLHCMGRVFXRYRN-UHFFFAOYSA-N
- Formula
- C6H5NO3
- SMILES
- O=C(O)c1ccc(=O)[nH]c1
- Molecular Weight1
- 139.11
- Other Names
-
- Nicotinic acid, 1,6-dihydro-6-oxo-
- 1,6-Dihydro-6-oxo-3-pyridinecarboxylic acid
- 2-Pyridone-5-carboxylic acid
- 6-Hydroxynicotinic acid
- 2-Hydroxypyridine-3-carboxylic acid
- Pyridin-2-one-5-carboxylic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.7186 | Relay (1.0) Calculated Property | |
| ΔfG° | -294.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -443.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 146.40 ± 4.60 | kJ/mol | NIST |
| ΔvapH° | 116.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.409 | Crippen Calculated Property | |
| McVol | 94.930 | ml/mol | McGowan Calculated Property |
| Pc | 5065.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 581.79 | K | Relay (1.0) Calculated Property |
| Tc | 833.60 | K | Relay (1.0) Calculated Property |
| Tfus | 549.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.339 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 143.00 ± 4.50 | kJ/mol | 474.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-.
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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