- InChI
- InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
- InChI Key
- WEGYGNROSJDEIW-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- CC(=O)c1cccnc1
- Molecular Weight1
- 121.14
- CAS
- 350-03-8
- Other Names
-
- 1-(3-Pyridinyl)ethanone
- 3-Acetopyridine
- 3-Pyridinyl methyl ketone
- 3-Pyridyl methyl ketone
- 3-acetylpyridine
- Ketone, methyl 3-pyridyl
- Methyl «beta»-pyridyl ketone
- NSC 761
- methyl 3-pyridyl ketone
- pyridine, 3-acetyl-
- «beta»-Acetylpyridine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 916.20 | kJ/mol | NIST |
| BasG | 884.30 | kJ/mol | NIST |
| ΔvapH° | 66.10 ± 0.80 | kJ/mol | NIST |
| IE | [9.10; 9.57] | eV |
|
| IE | 9.10 | eV | NIST |
| IE | 9.57 | eV | NIST |
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Inp | [1109.10; 1128.00] |
|
|
| Inp | 1128.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1109.10 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1109.10 | NIST | |
| I | [1833.00; 1833.00] |
|
|
| I | 1833.00 | NIST | |
| I | 1833.00 | NIST | |
| Tboil | [493.00; 493.20] | K |
|
| Tboil | 493.20 | K | NIST |
| Tboil | 493.00 | K | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3-pyridinyl)-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solubilities of 3-acetylpyridine in supercritical carbon dioxide atseveral temperatures and pressures: Experimental and modeling
- Comment on "Solubilities of 3-acetylpyridine in supercritical carbon dioxide at several temperatures and pressures: Experimental and modeling" Fluid Phase Equilib. 354 (2013) 127-132
- 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.