- InChI
- InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
- InChI Key
- GRFNBEZIAWKNCO-UHFFFAOYSA-N
- Formula
- C5H5NO
- SMILES
- Oc1cccnc1
- Molecular Weight1
- 95.10
- CAS
- 109-00-2
- Other Names
-
- 3-Hydroxypyridine
- 3-Oxopyridine
- 3-Pyridol
- 3-Pyridone
- pyridin-3-ol
- «beta»-Hydroxypyridine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (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 | 0.4790 | Relay (1.0) Calculated Property | |
| PAff | 929.50 | kJ/mol | NIST |
| BasG | 897.70 | kJ/mol | NIST |
| ΔcH°solid | -2550.10 ± 0.90 | kJ/mol | NIST |
| ΔfG° | 19.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -43.70 ± 1.70 | kJ/mol | NIST |
| ΔfH°solid | -132.00 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | [88.30; 88.30] | kJ/mol |
|
| ΔsubH° | 88.30 ± 1.30 | kJ/mol | NIST |
| ΔsubH° | 88.30 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 62.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.15; 9.55] | eV |
|
| IE | 9.50 ± 0.10 | eV | NIST |
| IE | 9.55 ± 0.02 | eV | NIST |
| IE | 9.55 ± 0.05 | eV | NIST |
| IE | 9.15 ± 0.03 | eV | NIST |
| log10WS | -0.46 | Aq. Solubility Prediction | |
| logPoct/wat | 0.787 | Crippen Calculated Property | |
| McVol | 73.400 | ml/mol | McGowan Calculated Property |
| Pc | 6516.80 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 506.17 | K | Relay (1.0) Calculated Property |
| Tc | 745.13 | K | Relay (1.0) Calculated Property |
| Tfus | 400.40 | K | Aq. Solubility Prediction |
| Vc | 0.241 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pyridinol.
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
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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