- InChI
- InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
- InChI Key
- ZYVXHFWBYUDDBM-UHFFFAOYSA-N
- Formula
- C7H8N2O
- SMILES
- CNC(=O)c1cccnc1
- Molecular Weight1
- 136.15
- Other Names
-
- 3-(N-methylcarbamoyl)pyridine
- N-methyl-3-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 | 0.4943 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -51.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.441 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4391.17 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 533.40 | K | Relay (1.0) Calculated Property |
| Tc | 796.54 | K | Relay (1.0) Calculated Property |
| Tfus | 379.10 | K | Thermodynamic study of nicotinamide, N-methylnicotinamide and N,N-dimethylnicotinamide: Vapour pressures, phase diagrams, and hydrogen bonds |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-methylnicotinamide.
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
- Thermodynamic study of nicotinamide, N-methylnicotinamide and N,N-dimethylnicotinamide: Vapour pressures, phase diagrams, and hydrogen bonds
- McGowan Method
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