- InChI
- InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H
- InChI Key
- OFYLBLSSPQTTHT-UHFFFAOYSA-N
- Formula
- C6H6N2O
- SMILES
- ON=Cc1ccncc1
- Molecular Weight1
- 122.12
- CAS
- 696-54-8
- Other Names
-
- 4-(Hydroxyiminomethyl)pyridine
- Isonicotinaldehyde, oxime
- 4-Pyridinealdoxime
- Pyridine-4-carboxaldoxime
- Pyridine-4-aldoxime
- 4-Pyridinecarbaldehyde oxime
- Pyridine, 4-formyl-, oxime
- NSC 63847
- 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 | 0.6135 | Relay (1.0) Calculated Property | |
| ΔfG° | 268.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 153.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.890 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Pc | 6369.45 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 527.62 | K | Relay (1.0) Calculated Property |
| Tc | 789.34 | K | Relay (1.0) Calculated Property |
| Tfus | 390.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.325 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pyridinecarboxaldehyde, oxime.
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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