- InChI
- InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3
- InChI Key
- WMQUKDQWMMOHSA-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- CC(=O)c1ccncc1
- Molecular Weight1
- 121.14
- CAS
- 1122-54-9
- Other Names
-
- Ketone, methyl 4-pyridyl
- Methyl 4-pyridyl ketone
- 4-Acetylpyridine
- 4-Pyridyl methyl ketone
- Pyridine, 4-acetyl-
- «gamma»-Acetylpyridine
- 1-(4-Pyridinyl)ethanone
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.4110 | Relay (1.0) Calculated Property | |
| PAff | 914.70 | kJ/mol | NIST |
| BasG | 882.90 | kJ/mol | NIST |
| ΔfG° | 36.79 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -53.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.50 ± 0.90 | kJ/mol | NIST |
| IE | [9.30; 9.75] | eV |
|
| IE | 9.30 | eV | NIST |
| IE | 9.75 | eV | NIST |
| log10WS | -0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 4555.11 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 1112.00 | NIST | |
| I | [1800.00; 1801.00] |
|
|
| I | 1800.00 | NIST | |
| I | 1801.00 | NIST | |
| I | 1801.00 | NIST | |
| Tboil | [485.20; 487.00] | K |
|
| Tboil | 485.20 | K | NIST |
| Tboil | 487.00 | K | NIST |
| Tboil | 486.00 ± 1.00 | K | NIST |
| Tc | 729.08 | K | Relay (1.0) Calculated Property |
| Tfus | 354.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(4-pyridinyl)-.
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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