- InChI
- InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
- InChI Key
- GCSHUYKULREZSJ-UHFFFAOYSA-N
- Formula
- C12H9NO
- SMILES
- O=C(c1ccccc1)c1ccccn1
- Molecular Weight1
- 183.21
- CAS
- 91-02-1
- Other Names
-
- Ketone, phenyl 2-pyridyl
- Phenyl 2-pyridyl ketone
- 2-Benzoylpyridine
- Pyridine, 2-benzoyl-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4977 | Relay (... Calculated Property | |
| ΔfG° | 163.72 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 101.16 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.54 | kJ/mol | Relay (... Calculated Property |
| IE | [9.06; 9.10] | eV |
|
| IE | 9.06 | eV | NIST |
| IE | 9.06 | eV | NIST |
| IE | 9.10 ± 0.10 | eV | NIST |
| log10WS | -2.21 | Relay (... Calculated Property | |
| logPoct/wat | 2.313 | Crippen Calculated Property | |
| McVol | 143.970 | ml/mol | McGowan Calculated Property |
| Pc | 3699.50 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | [590.00; 590.20] | K |
|
| Tboil | 590.20 | K | NIST |
| Tboil | 590.00 | K | NIST |
| Tc | 855.71 | K | Relay (... Calculated Property |
| Tfus | 316.00 ± 1.00 | K | NIST |
| Vc | 0.540 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 20.91 | kJ/mol | 210.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [444.00; 444.20] | K | [1.30; 1.30] |
|
| Tboilr | 444.20 | K | 1.30 | NIST |
| Tboilr | 444.00 ± 1.00 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Methanone, phenyl-2-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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