- InChI
- InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
- InChI Key
- WDFKMLRRRCGAKS-UHFFFAOYSA-N
- Formula
- C9H5Cl2NO
- SMILES
- Oc1c(Cl)cc(Cl)c2cccnc12
- Molecular Weight1
- 214.05
- CAS
- 773-76-2
- Other Names
-
- 5,7-Dichlor-8-hydroxychinolin
- 5,7-Dichloro-8-hydroquinoline
- 5,7-Dichloro-8-oxyquinoline
- 5,7-Dichlorooxine
- 5,7-Dichloroxine
- 5,7-dichloro-8-hydroxyquinoline
- 5,7-dichloro-8-quinolinol
- 5,7-dichloroquinolin-8-ol
- 8-Quinolinol, 5,7-dichloro-
- CHQ
- Capitrol
- Chlofucid
- Chloroxyquinoline
- Chlorquinol
- Clofuzid
- Dichlorohydroxyquinoline
- Dichloroquinolinol
- Dichloroxin
- Dikhloroskin
- Endiaron
- NSC 3904
- Quesyl
- Quinolor
- Quixalin
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4145.30 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -48.80 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -158.10 ± 1.80 | kJ/mol | NIST |
| ΔsubH° | [92.90; 109.30] | kJ/mol |
|
| ΔsubH° | 109.30 ± 0.70 | kJ/mol | NIST |
| ΔsubH° | 92.90 ± 0.80 | kJ/mol | NIST |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.247 | Crippen Calculated Property | |
| McVol | 134.780 | ml/mol | McGowan Calculated Property |
| Tfus | 378.67 | K | Relay (1.0) Calculated Property |
| Ttriple | 452.15 | K | Solid-Liquid Equilibrium of 5-Chloro-8-hydroxyquinoline and 5,7-Dichloro-8-hydroxyquinoline in Different Solvents and Mixing Properties of Solutions |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [92.90; 106.30] | kJ/mol | [358.50; 378.00] |
|
| ΔsubH | 106.30 ± 0.70 | kJ/mol | 358.50 | NIST |
| ΔsubH | 92.90 | kJ/mol | 378.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [472.76; 600.13] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.39584e+01 | |||
| Coefficient B | -1.11906e+04 | |||
| Temperature range, min. | 472.76 | |||
| Temperature range, max. | 600.13 | |||
| Pvap | 1.33 | kPa | 472.76 | Calculated Property |
| Pvap | 2.65 | kPa | 486.91 | Calculated Property |
| Pvap | 5.08 | kPa | 501.06 | Calculated Property |
| Pvap | 9.38 | kPa | 515.22 | Calculated Property |
| Pvap | 16.76 | kPa | 529.37 | Calculated Property |
| Pvap | 29.06 | kPa | 543.52 | Calculated Property |
| Pvap | 49.00 | kPa | 557.67 | Calculated Property |
| Pvap | 80.52 | kPa | 571.83 | Calculated Property |
| Pvap | 129.17 | kPa | 585.98 | Calculated Property |
| Pvap | 202.66 | kPa | 600.13 | Calculated Property |
Similar Compounds
Find more compounds similar to Chloroxine.
Mixtures
- Chloroxine + Formamide, N,N-dimethyl- + Water
- Chloroxine + Dimethyl Sulfoxide + Water
- Chloroxine + 2-Pyrrolidinone, 1-methyl- + Water
- Chloroxine + 1,4-Dioxane + Water
- Chloroxine + Water
- Chloroxine + Formamide, N,N-dimethyl-
- Chloroxine + Dimethyl Sulfoxide
- Chloroxine + 2-Pyrrolidinone, 1-methyl-
- Chloroxine + 1,4-Dioxane
- Chloroxine + Ethyl Acetate
- Toluene + Chloroxine
- Acetonitrile + Chloroxine
- Chloroxine + Ethyl Acetate + Methyl Alcohol
- Chloroxine + Ethanol + Ethyl Acetate
- 1-Propanol + Chloroxine + Ethyl Acetate
- 2-Propanol + Chloroxine + Ethyl Acetate
- Chloroxine + Methyl Alcohol
- Chloroxine + Ethanol
- 1-Propanol + Chloroxine
- 2-Propanol + Chloroxine
Find more mixtures with Chloroxine.
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
- Solubility of chloroxine in aqueous co-solvent mixtures of N,N-dimethylformamide, dimethyl sulfoxide, N-methyl-2-pyrrolidone and 1,4-dioxane: Determination, solvent effect and preferential solvation analysis
- Cosolvency and Mathematical Modeling Analysis of Chloroxine in Some Binary Solvent System
- Solid-Liquid Equilibrium of 5-Chloro-8-hydroxyquinoline and 5,7-Dichloro-8-hydroxyquinoline in Different Solvents and Mixing Properties of Solutions
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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