- InChI
- InChI=1S/C5H4ClNO/c6-5-2-1-3-7(8)4-5/h1-4H
- InChI Key
- NEXUNCTUUDERGR-UHFFFAOYSA-N
- Formula
- C5H4ClNO
- SMILES
- [O-][n+]1cccc(Cl)c1
- Molecular Weight1
- 129.54
- CAS
- 1851-22-5
- 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 | 0.3185 | Relay (... Calculated Property | |
| PAff | 902.20 | kJ/mol | NIST |
| BasG | 869.70 | kJ/mol | NIST |
| ΔfG° | 184.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 112.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -0.42 | Relay (... Calculated Property | |
| logPoct/wat | 0.973 | Crippen Calculated Property | |
| McVol | 85.640 | ml/mol | McGowan Calculated Property |
| Pc | 4969.75 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 466.79 | K | Relay (... Calculated Property |
| Tc | 706.30 | K | Relay (... Calculated Property |
| Tfus | 357.52 | K | Relay (... Calculated Property |
| Vc | 0.280 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-chloro-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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