- InChI
- InChI=1S/C5H4FNO/c6-5-2-1-3-7(8)4-5/h1-4H
- InChI Key
- QVGBDRDOWKIYHK-UHFFFAOYSA-N
- Formula
- C5H4FNO
- SMILES
- [O-][n+]1cccc(F)c1
- Molecular Weight1
- 113.09
- CAS
- 695-37-4
- 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).
- 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 | 0.3078 | Relay (1.0) Calculated Property | |
| PAff | 900.10 | kJ/mol | NIST |
| BasG | 867.60 | kJ/mol | NIST |
| ΔfG° | 59.54 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -69.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.459 | Crippen Calculated Property | |
| McVol | 75.170 | ml/mol | McGowan Calculated Property |
| Pc | 4961.87 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 418.57 | K | Relay (1.0) Calculated Property |
| Tc | 650.05 | K | Relay (1.0) Calculated Property |
| Tfus | 339.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.248 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-fluoro-pyridine-1-oxide.
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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