- 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).
- 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).
- 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 |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 3.465 | Crippen Calculated Property | |
| McVol | 145.300 | ml/mol | McGowan Calculated Property |
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 Yaw...
|
| 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
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