- InChI
- InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
- InChI Key
- PMZDQRJGMBOQBF-UHFFFAOYSA-N
- Formula
- C9H7NO
- SMILES
- Oc1ccnc2ccccc12
- Molecular Weight1
- 145.16
- CAS
- 611-36-9
- Other Names
-
- 4-Hydroxyquinoline
- Kynurine
- quinolin-4-ol
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5467 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4427.70 ± 1.60 | kJ/mol | NIST |
| ΔfH°gas | 20.80 ± 2.30 | kJ/mol | NIST |
| ΔfH°solid | -114.30 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | [135.10; 135.10] | kJ/mol |
|
| ΔsubH° | 135.10 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 135.10 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 78.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | NIST |
| log10WS | -1.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.940 | Crippen Calculated Property | |
| McVol | 110.300 | ml/mol | McGowan Calculated Property |
| Pc | 6066.74 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 552.73 | K | Relay (1.0) Calculated Property |
| Tc | 857.81 | K | Relay (1.0) Calculated Property |
| Tfus | 455.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 128.80 ± 1.10 | kJ/mol | 424.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Quinolinol.
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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