- InChI
- InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
- InChI Key
- AJKVQEKCUACUMD-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- CC(=O)c1ccccn1
- Molecular Weight1
- 121.14
- CAS
- 1122-62-9
- Other Names
-
- 1-(2-pyridinyl)ethanone
- 2-Acetopyridine
- 2-AcetyIpyridine
- 2-Pyridyl methyl ketone
- 2-acetylpyridine
- Acetyl pyridine
- Ketone, methyl 2-pyridyl
- methyl 2-pyridyl ketone
- pyridine, 2-acetyl-
- 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.
- Ip : 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 | 0.4042 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -43.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.50 ± 0.30 | kJ/mol | NIST |
| IE | [8.90; 9.35] | eV |
|
| IE | 8.90 | eV | NIST |
| IE | 9.35 | eV | NIST |
| log10WS | -0.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 4560.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [991.00; 1057.00] |
|
|
| Inp | 999.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1034.80 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Ip | [1552.00; 1618.00] |
|
|
| Ip | 1608.00 | NIST | |
| Ip | 1618.00 | NIST | |
| Ip | 1608.00 | NIST | |
| Ip | 1608.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | 1586.00 | NIST | |
| Ip | 1603.00 | NIST | |
| Ip | 1603.00 | NIST | |
| Ip | 1597.00 | NIST | |
| Ip | 1602.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1615.00 | NIST | |
| Ip | 1597.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1600.00 | NIST | |
| Ip | 1567.00 | NIST | |
| Ip | 1580.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | Outlier 1552.00 | NIST | |
| Ip | 1618.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1600.00 | NIST | |
| Ip | 1560.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1586.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1588.00 | NIST | |
| Ip | Outlier 1552.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1602.00 | NIST | |
| Ip | 1618.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1567.00 | NIST | |
| Tboil | [461.70; 465.20] | K |
|
| Tboil | 461.70 | K | NIST |
| Tboil | 465.20 | K | NIST |
| Tboil | 465.00 | K | NIST |
| Tc | 719.22 | K | Relay (1.0) Calculated Property |
| Tfus | 282.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2-pyridinyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Standard molar enthalpies of formation of the acetylpyridine isomers
- McGowan Method
- NIST Webbook
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