- InChI
- InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
- InChI Key
- ILVXOBCQQYKLDS-UHFFFAOYSA-N
- Formula
- C5H5NO
- SMILES
- [O-][n+]1ccccc1
- Molecular Weight1
- 95.10
- CAS
- 694-59-7
- Other Names
-
- Pyridine oxide
- Pyridine N-oxide
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.2948 | Relay (1.0) Calculated Property | |
| PAff | 923.60 | kJ/mol | NIST |
| BasG | 892.90 | kJ/mol | NIST |
| ΔfG° | 212.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | [87.90; 87.90] | kJ/mol |
|
| ΔfH°gas | 87.90 ± 2.50 | kJ/mol | NIST |
| ΔfH°gas | 87.90 ± 2.50 | kJ/mol | NIST |
| ΔfH°solid | [7.70; 8.60] | kJ/mol |
|
| ΔfH°solid | 7.70 | kJ/mol | NIST |
| ΔfH°solid | 8.60 ± 2.30 | kJ/mol | NIST |
| ΔfH°solid | 8.60 ± 2.30 | kJ/mol | NIST |
| ΔsubH° | [79.30; 81.90] | kJ/mol |
|
| ΔsubH° | 81.90 ± 1.50 | kJ/mol | NIST |
| ΔsubH° | 79.30 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 79.30 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 79.30 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 60.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.38; 8.46] | eV |
|
| IE | 8.38 ± 0.02 | eV | NIST |
| IE | 8.46 | eV | NIST |
| IE | 8.38 ± 0.02 | eV | NIST |
| log10WS | 0.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.320 | Crippen Calculated Property | |
| McVol | 73.400 | ml/mol | McGowan Calculated Property |
| Pc | 5311.68 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 436.45 | K | Relay (1.0) Calculated Property |
| Tc | 654.19 | K | Relay (1.0) Calculated Property |
| Tfus | 384.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.235 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 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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