- InChI
- InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
- InChI Key
- PVNIIMVLHYAWGP-UHFFFAOYSA-N
- Formula
- C6H5NO2
- SMILES
- O=C(O)c1cccnc1
- Molecular Weight1
- 123.11
- CAS
- 59-67-6
- Other Names
-
- 3-Carboxylpyridine
- 3-Carboxypyridine
- 3-Pyridinecarboxylic acid
- 3-Pyridylcarboxylic acid
- Acide nicotinique
- Acidum nicotinicum
- Akotin
- Apelagrin
- Bionic
- Daskil
- Davitamon PP
- Diacin
- Direktan
- Efacin
- Kyselina nikotinova
- Linic
- NAH
- NICO
- Naotin
- Niac
- Niacor
- Niaspan
- Nicacid
- Nicamin
- Nicangin
- Nico-400
- Nico-Span
- Nicobid
- Nicocap
- Nicocidin
- Nicocrisina
- Nicodan
- Nicodelmine
- Nicodon
- Nicolar
- Niconacid
- Niconat
- Niconazid
- Nicorol
- Nicosan 3
- Nicoside
- Nicosyl
- Nicotamin
- Nicotene
- Nicotil
- Nicotine acid
- Nicotinic acid
- Nicotinipca
- Nicotinsaure
- Nicovasan
- Nicovasen
- Nicovel
- Nicyl
- Nipellen
- Nyclin
- P.P. factor
- P.P. factor-pellagra preventive factor
- PP Factor
- Pellagra preventive factor
- Pellagramin
- Pellagrin
- Pelonin
- Peviton
- Pyridine-3-carboxylic acid
- Pyridine-carboxylique-3
- Pyridine-«beta»-carboxylic acid
- Pyridine-«beta»-carboxylic acid
- S115
- SK-Niacin
- Tega-Span
- Tinic
- Vitamin B3
- Vitaplex N
- Wampocap
- anti-Pellagra vitamin
- m-Pyridinecarboxylic acid
- «beta»-Pyridinecarboxylic acid
- «beta»-Pyridinecarboxylic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- 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).
- 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).
- ρs : Solid Density (kg/m3).
- Inp : Non-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 |
|---|---|---|---|
| ΔcH°solid | [-2730.83; -2730.67] | kJ/mol |
|
| ΔcH°solid | -2730.83 ± 0.48 | kJ/mol | NIST |
| ΔcH°solid | -2730.67 ± 0.57 | kJ/mol | NIST |
| ΔfH°gas | -221.50 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | [-344.97; -344.81] | kJ/mol |
|
| ΔfH°solid | -344.90 ± 0.90 | kJ/mol | NIST |
| ΔfH°solid | -344.81 ± 0.92 | kJ/mol | NIST |
| ΔfH°solid | -344.97 ± 0.67 | kJ/mol | NIST |
| ΔsubH° | [105.20; 123.90] | kJ/mol |
|
| ΔsubH° | 123.90 ± 3.70 | kJ/mol | NIST |
| ΔsubH° | 105.20 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 123.40 ± 1.20 | kJ/mol | NIST |
| ΔsubH° | 123.40 ± 1.20 | kJ/mol | NIST |
| IE | 9.38 | eV | NIST |
| log10WS | -0.71 | Aq. Sol... | |
| logPoct/wat | 0.780 | Crippen Calculated Property | |
| McVol | 89.060 | ml/mol | McGowan Calculated Property |
| Inp | [1335.00; 1340.00] |
|
|
| Inp | 1340.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Tfus | [510.06; 510.48] | K |
|
| Tfus | 510.06 | K | Aq. Sol... |
| Tfus | 510.26 | K | Solubil... |
| Tfus | 510.48 ± 0.50 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [26.70; 97.10] | kJ/mol | [509.10; 510.00] |
|
| ΔfusH | 27.57 | kJ/mol | 509.10 | NIST |
| ΔfusH | 97.10 | kJ/mol | 509.30 | NIST |
| ΔfusH | 30.00 | kJ/mol | 510.00 | NIST |
| ΔfusH | 26.70 | kJ/mol | 510.00 | NIST |
| ΔsubH | [89.30; 101.10] | kJ/mol | [362.00; 485.50] |
|
| ΔsubH | 101.10 ± 0.60 | kJ/mol | 362.00 | NIST |
| ΔsubH | 89.30 | kJ/mol | 485.50 | NIST |
| ρs | [1406.00; 1481.00] | kg/m3 | [150.00; 425.00] |
|
| ρs | 1481.00 | kg/m3 | 150.00 | Thermod... |
| ρs | 1477.00 | kg/m3 | 175.00 | Thermod... |
| ρs | 1471.00 | kg/m3 | 200.00 | Thermod... |
| ρs | 1465.00 | kg/m3 | 225.00 | Thermod... |
| ρs | 1460.00 | kg/m3 | 250.00 | Thermod... |
| ρs | 1454.00 | kg/m3 | 275.00 | Thermod... |
| ρs | 1444.00 | kg/m3 | 300.00 | Thermod... |
| ρs | 1436.00 | kg/m3 | 325.00 | Thermod... |
| ρs | 1430.00 | kg/m3 | 350.00 | Thermod... |
| ρs | 1422.00 | kg/m3 | 375.00 | Thermod... |
| ρs | 1413.00 | kg/m3 | 400.00 | Thermod... |
| ρs | 1406.00 | kg/m3 | 425.00 | Thermod... |
Similar Compounds
Find more compounds similar to Niacin.
Mixtures
- Niacin + Water
- Pyridine, 3-methyl- + Niacin
- Pyridine, 3-methyl- + Niacin + Water
- Carbon dioxide + Niacin
- 1-Butanol + Niacin
- 1-Pentanol + Niacin
- Niacin + 1-Hexanol
- sodium chloride + Niacin + Water
- Sulfuric Acid + Niacin + Water
Sources
- Crippen Method
- On the solubility of nicotinic acid and isonicotinic acid in water and organic solvents
- Density and viscosity study of nicotinic acid and nicotinamide in dilute aqueous solutions at and around the temperature of the maximum density of water
- Volumetric and viscometric studies of nicotinic acid in aqueous solutions of sodium malonate at T = (298.15-318.15) K
- Volumetric and viscometric studies on L-ascorbic acid, nicotinic acid, thiamine hydrochloride and pyridoxine hydrochloride in water at temperatures (288.15 to 318.15) K and at atmospheric pressure
- Solvation behavior of some vitamins in aqueous solutions of sodiumchloride at different temperatures and at atmospheric pressure
- Thermodynamic properties and low-temperature X-ray diffraction of vitamin B3
- Solubility of Niacin in 3-Picoline + Water from (287.65 to 359.15) K
- Densities and Viscosities of Niacin + 3-Picoline + Sulfuric Acid + Water from (293.15 to 343.15) K
- Densities and Viscosities of Niacin + 3-Picoline + Water Mixtures from (293.15 to 343.15) K
- Solubility of Nicotinic Acid and Nicotinamide in Carbon Dioxide at T = (313.15 to 373.15) K and p = (5 to 30) MPa: Experimental Data and Correlation
- Density, Viscosity and Electric Conductance of a Ternary Solution of (Nicotinic Acid + Dextran 40000 + Water)
- Aqueous Solubility Prediction Method
- 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.