- InChI
- InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
- InChI Key
- GCNTZFIIOFTKIY-UHFFFAOYSA-N
- Formula
- C5H5NO
- SMILES
- Oc1ccncc1
- Molecular Weight1
- 95.10
- CAS
- 626-64-2
- Other Names
-
- 4-Hydroxypyridine
- 4-Pyridol
- 4-Pyridone
- pyridin-4-ol
- «gamma»-Hydroxypyridine
- «gamma»-Hydroxypyridine
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4718 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-2537.50; -2533.20] | kJ/mol |
|
| ΔcH°solid | -2533.20 ± 0.40 | kJ/mol | NIST |
| ΔcH°solid | -2537.50 ± 1.10 | kJ/mol | NIST |
| ΔfG° | 13.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | [-40.80; -30.30] | kJ/mol |
|
| ΔfH°gas | -30.30 ± 5.30 | kJ/mol | NIST |
| ΔfH°gas | -40.80 ± 2.10 | kJ/mol | NIST |
| ΔfH°solid | [-148.90; -144.60] | kJ/mol |
|
| ΔfH°solid | -148.90 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | -144.60 ± 1.30 | kJ/mol | NIST |
| ΔsubH° | [103.80; 118.60] | kJ/mol |
|
| ΔsubH° | 118.60 ± 5.20 | kJ/mol | NIST |
| ΔsubH° | 118.60 ± 5.20 | kJ/mol | NIST |
| ΔsubH° | 103.80 ± 1.70 | kJ/mol | NIST |
| ΔsubH° | 103.80 ± 1.70 | kJ/mol | NIST |
| ΔvapH° | 63.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.60; 9.89] | eV |
|
| IE | 9.80 ± 0.03 | eV | NIST |
| IE | 9.60 ± 0.10 | eV | NIST |
| IE | 9.89 ± 0.02 | eV | NIST |
| IE | 9.70 ± 0.05 | eV | NIST |
| log10WS | [1.02; 1.02] |
|
|
| log10WS | 1.02 | Aq. Solubility Prediction | |
| log10WS | 1.02 | Estimated Solubility | |
| logPoct/wat | 0.787 | Crippen Calculated Property | |
| McVol | 73.400 | ml/mol | McGowan Calculated Property |
| Pc | 6427.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1154.00; 1154.00] |
|
|
| Inp | 1154.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Tboil | 490.06 | K | Relay (1.0) Calculated Property |
| Tc | 732.65 | K | Relay (1.0) Calculated Property |
| Tfus | [420.55; 421.15] | K |
|
| Tfus | 420.55 | K | Aq. Solubility Prediction |
| Tfus | 421.15 ± 1.00 | K | NIST |
| Vc | 0.236 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-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
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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