- InChI
- InChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3
- InChI Key
- PVRYOKQFLBSILA-UHFFFAOYSA-N
- Formula
- C8H9NO
- SMILES
- CC(=O)c1ccc(C)nc1
- Molecular Weight1
- 135.16
- CAS
- 42972-46-3
- Other Names
-
- 1-(6-Methyl-3-pyridyl)-1-ethanone
- Pyridine, 5-acetyl-2-methyl
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.4515 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -103.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.593 | Crippen Calculated Property | |
| McVol | 111.370 | ml/mol | McGowan Calculated Property |
| Pc | 3942.77 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1162.00; 1189.00] |
|
|
| Inp | 1189.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1189.00 | NIST | |
| I | [1876.00; 1902.00] |
|
|
| I | 1876.00 | NIST | |
| I | 1902.00 | NIST | |
| I | 1876.00 | NIST | |
| Tboil | 498.21 | K | Relay (1.0) Calculated Property |
| Tc | 730.30 | K | Relay (1.0) Calculated Property |
| Tfus | 326.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Acetyl-2-methylpyridine.
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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