- InChI
- InChI=1S/C8H6Br2O3/c1-13-5-2-4(3-11)6(9)7(10)8(5)12/h2-3,12H,1H3
- InChI Key
- WKLKGSHBXNPUDU-UHFFFAOYSA-N
- Formula
- C8H6Br2O3
- SMILES
- COc1cc(C=O)c(Br)c(Br)c1O
- Molecular Weight1
- 309.94
- CAS
- 2973-75-3
- Other Names
-
- 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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 | 0.6805 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.738 | Crippen Calculated Property | |
| McVol | 148.130 | ml/mol | McGowan Calculated Property |
| Pc | 5438.52 | kPa | Joback Calculated Property |
| Tboil | 590.83 | K | Relay (1.0) Calculated Property |
| Tc | 876.90 | K | Relay (1.0) Calculated Property |
| Tfus | 397.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.89; 348.82] | J/mol×K | [708.08; 961.42] | 
|
| Cp,gas | 309.89 | J/mol×K | 708.08 | Joback Calculated Property |
| Cp,gas | 317.18 | J/mol×K | 750.30 | Joback Calculated Property |
| Cp,gas | 324.03 | J/mol×K | 792.53 | Joback Calculated Property |
| Cp,gas | 330.54 | J/mol×K | 834.75 | Joback Calculated Property |
| Cp,gas | 336.79 | J/mol×K | 876.98 | Joback Calculated Property |
| Cp,gas | 342.86 | J/mol×K | 919.20 | Joback Calculated Property |
| Cp,gas | 348.82 | J/mol×K | 961.42 | Joback Calculated Property |
| η | [0.0000229; 0.0001554] | Pa×s | [539.45; 708.08] |
|
| η | 0.0001554 | Pa×s | 539.45 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 567.56 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 595.66 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 623.76 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 651.87 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 679.97 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 708.08 | Joback Calculated Property |
Similar Compounds
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Sources
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