- InChI
- InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
- InChI Key
- TWBYWOBDOCUKOW-UHFFFAOYSA-N
- Formula
- C6H5NO2
- SMILES
- O=C(O)c1ccncc1
- Molecular Weight1
- 123.11
- CAS
- 55-22-1
- Other Names
-
- 4-Picolinic acid
- 4-carboxypyridine
- Acide iso-nicotinique
- INA
- Pyridine-4-carboxylic acid
- Pyridinecarboxylic acid-(4)
- isonicotinic acid
- «alpha»-Picolinic acid
- «gamma»-Picolinic acid
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔsubH° | [111.30; 113.90] | kJ/mol |
|
| ΔsubH° | 111.30 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 113.90 ± 4.70 | kJ/mol | NIST |
| log10WS | -1.30 | Crippen Calculated Property | |
| logPoct/wat | 0.780 | Crippen Calculated Property | |
| McVol | 89.060 | ml/mol | McGowan Calculated Property |
| I | 2088.00 | NIST | |
| Tfus | 590.65 ± 1.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [135.00; 135.00] | kJ/mol | [593.00; 593.00] |
|
| ΔfusH | 135.00 | kJ/mol | 593.00 | NIST |
| ΔfusH | 135.00 | kJ/mol | 593.00 | NIST |
| ΔfusH | 135.00 | kJ/mol | 593.00 | NIST |
| ΔsubH | 107.70 ± 0.70 | kJ/mol | 362.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Pyridinecarboxylic acid.
Mixtures
- 4-Pyridinecarboxylic acid + 1-Pentanol
- 4-Pyridinecarboxylic acid + Acetone
- 4-Pyridinecarboxylic acid + Tetrahydrofuran
- 4-Pyridinecarboxylic acid + Pyridine, 4-methyl- + Water
- 4-Pyridinecarboxylic acid + Methyl Alcohol
- 4-Pyridinecarboxylic acid + Ethanol
- 1-Propanol + 4-Pyridinecarboxylic acid
- 4-Pyridinecarboxylic acid + Isopropyl Alcohol
- 4-Pyridinecarboxylic acid + Propylene Glycol
- 4-Pyridinecarboxylic acid + Sulfuric Acid + Water
Sources
- Crippen Method
- Crippen Method
- On the solubility of nicotinic acid and isonicotinic acid in water and organic solvents
- Solubility of Isonicotinic Acid in 4-Methylpyridine + Water from (287.65 to 361.15) K
- Solubilities of Isonicotinic Acid in (Methanol, Ethanol, 1-Propanol, 2-Propanol, and 1,2-Propanediol, Respectively) from (289.65 to 358.75) K
- Solubilities of Isonicotinic Acid in Sulfuric Acid + Water and 4-Methylpyridine + Sulfuric Acid + Water from (293.55 to 361.45) K
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.