- InChI
- InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
- InChI Key
- VFQXVTODMYMSMJ-UHFFFAOYSA-N
- Formula
- C6H6N2O
- SMILES
- NC(=O)c1ccncc1
- Molecular Weight1
- 122.12
- CAS
- 1453-82-3
- Other Names
-
- .gamma.-pyridinecarboxamide
- 4-carbamoylpyridine
- Pyridine-4-carboxylic acid amide
- isonicotinamide
- isonicotinic acid amide
- «gamma»-Pyridinecarboxamide
- 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 | 0.5467 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -81.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.181 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Pc | 4867.07 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 528.82 | K | Relay (1.0) Calculated Property |
| Tc | 790.56 | K | Relay (1.0) Calculated Property |
| Tfus | 428.50 | K | Determination and correlation of solubility and mixing properties of isonicotinamide (form II) in some pure solvents |
| Vc | 0.332 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pyridinecarboxamide.
Mixtures
- Water + 4-Pyridinecarboxamide
- Ethanol + 4-Pyridinecarboxamide
- Isopropyl Alcohol + 4-Pyridinecarboxamide
- 1-Butanol + 4-Pyridinecarboxamide
- Ethyl Acetate + 4-Pyridinecarboxamide
- Acetic acid, butyl ester + 4-Pyridinecarboxamide
- Dimethyl Sulfoxide + Water + 4-Pyridinecarboxamide
- Formamide, N,N-dimethyl- + Water + 4-Pyridinecarboxamide
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
- Determination and correlation of solubility and mixing properties of isonicotinamide (form II) in some pure solvents
- Dilution Enthalpies and Enthalpic Pairwise Self-Interactions of Nicotinamide and Isonicotinamide in (Dimethylformamide + Water) and (Dimethylsulfoxide + Water) Mixed Solvents at 298.15 K
- McGowan Method
- NIST Webbook
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