- InChI
- InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H
- InChI Key
- RYMBAPVTUHZCNF-UHFFFAOYSA-N
- Formula
- C12H9NO
- SMILES
- O=C(c1ccccc1)c1cccnc1
- Molecular Weight1
- 183.21
- CAS
- 5424-19-1
- Other Names
-
- Methanone, phenyl-3-pyridinyl-
- Ketone, phenyl 3-pyridyl
- 3-Benzoylpyridine
- Pyridine, 3-benzoyl-
- 3-Pyridyl phenyl ketone
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 934.10 | kJ/mol | NIST |
| BasG | 902.30 | kJ/mol | NIST |
| IE | 9.60 ± 0.10 | eV | NIST |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.313 | Crippen Calculated Property | |
| McVol | 143.970 | ml/mol | McGowan Calculated Property |
| Tboil | [580.20; 591.70] | K |
|
| Tboil | 580.20 | K | NIST |
| Tboil | 591.70 | K | NIST |
| Tboil | 591.50 ± 0.50 | K | NIST |
| Tfus | 315.00 | K | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.00 ± 1.00 | K | 0.34 | NIST |
Similar Compounds
Find more compounds similar to Phenyl 3-pyridyl ketone.
Sources
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.