- InChI
- InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
- InChI Key
- ZDASUJMDVPTNTF-UHFFFAOYSA-N
- Formula
- C9H5Br2NO
- SMILES
- Oc1c(Br)cc(Br)c2cccnc12
- Molecular Weight1
- 302.95
- CAS
- 521-74-4
- Other Names
-
- 5,7-Dibromo-8-hydroxyquinoline
- 5,7-Dibromo-8-quinolinol
- 5,7-Dibromooxine
- 5,7-Dibromoquinolin-8-ol
- 8-Quinolinol, 5,7-dibromo-
- Brodiar
- Broxiquinoline
- Broxykinolin
- Broxyquinolin
- Colepur
- Colipar
- Dibromoksin
- Dibromoquin
- Dibromoxin
- Dibromoxine
- Dibromoxyquinoline
- Fenilor
- Intensopan
- NSC 1810
- Paramiba
- Paramibe
- 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).
- Pvap : Vapor pressure (kPa).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4171.90 ± 2.50 | kJ/mol | NIST |
| ΔfH°gas | 76.80 ± 3.10 | kJ/mol | NIST |
| ΔfH°solid | -40.50 ± 2.80 | kJ/mol | NIST |
| ΔsubH° | [94.10; 117.30] | kJ/mol |
|
| ΔsubH° | 117.30 ± 1.30 | kJ/mol | NIST |
| ΔsubH° | 94.10 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 93.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.465 | Crippen Calculated Property | |
| McVol | 145.300 | ml/mol | McGowan Calculated Property |
| Tfus | 394.63 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 | [94.10; 113.60] | kJ/mol | [372.50; 378.00] |
|
| ΔsubH | 113.60 ± 1.30 | kJ/mol | 372.50 | NIST |
| ΔsubH | 94.10 | kJ/mol | 378.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [511.99; 662.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.23696e+01 | |||
| Coefficient B | -1.13057e+04 | |||
| Temperature range, min. | 511.99 | |||
| Temperature range, max. | 662.77 | |||
| Pvap | 1.33 | kPa | 511.99 | Calculated Property |
| Pvap | 2.68 | kPa | 528.74 | Calculated Property |
| Pvap | 5.18 | kPa | 545.50 | Calculated Property |
| Pvap | 9.60 | kPa | 562.25 | Calculated Property |
| Pvap | 17.18 | kPa | 579.00 | Calculated Property |
| Pvap | 29.74 | kPa | 595.76 | Calculated Property |
| Pvap | 49.98 | kPa | 612.51 | Calculated Property |
| Pvap | 81.70 | kPa | 629.26 | Calculated Property |
| Pvap | 130.19 | kPa | 646.02 | Calculated Property |
| Pvap | 202.63 | kPa | 662.77 | Calculated Property |
Similar Compounds
Find more compounds similar to BROXYQUINOLINE.
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
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.