- InChI
- InChI=1S/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H
- InChI Key
- ADJQQSUBKRASQN-UHFFFAOYSA-N
- Formula
- C9H5BrClNO
- SMILES
- Oc1c(Br)cc(Cl)c2cccnc12
- Molecular Weight1
- 258.50
- CAS
- 7640-33-7
- Other Names
-
- 7-Bromo-5-chloro-8-hydroxyquinoline
- 8-Quinolinol, 7-bromo-5-chloro-
- 5-Chlor-7-brom-8-hydroxychinolin
- 7-bromo-5-chloroquinolin-8-ol
- 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).
- 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 | 0.5915 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4130.20 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 48.00 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -14.50 ± 2.20 | kJ/mol | NIST |
| ΔfH°solid | -127.70 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 113.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 90.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.356 | Crippen Calculated Property | |
| McVol | 140.040 | ml/mol | McGowan Calculated Property |
| Pc | 5316.23 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 592.49 | K | Relay (1.0) Calculated Property |
| Tc | 922.93 | K | Relay (1.0) Calculated Property |
| Tfus | 387.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 110.10 ± 0.80 | kJ/mol | 360.50 | NIST |
Similar Compounds
Find more compounds similar to 5-Chloro-7-bromo-8-hydroxyquinoline.
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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