- InChI
- InChI=1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H
- InChI Key
- ZKBDAJDDDOIASC-UHFFFAOYSA-N
- Formula
- C12H10N2O2
- SMILES
- O=C(c1ccccn1)C(O)c1ccccn1
- Molecular Weight1
- 214.22
- CAS
- 1141-06-6
- Other Names
-
- Ethanone, 2-hydroxy-1,2-di-2-pyridinyl-
- Ketone, hydroxy-2-pyridylmethyl 2-pyridyl
- 2-hydroxy-1,2-di-2-pyridylethanone
- 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).
- 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 | 0.6924 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -54.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.393 | Crippen Calculated Property | |
| McVol | 159.820 | ml/mol | McGowan Calculated Property |
| Pc | 3652.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 594.45 | K | Relay (1.0) Calculated Property |
| Tc | 916.99 | K | Relay (1.0) Calculated Property |
| Tfus | 400.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Pyridoin.
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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