- InChI
- InChI=1S/C5H5BrCl2O3/c1-11-4(10)5(6,8)3(9)2-7/h2H2,1H3
- InChI Key
- VQUPDNAUQJHMIG-UHFFFAOYSA-N
- Formula
- C5H5BrCl2O3
- SMILES
- COC(=O)C(Cl)(Br)C(=O)CCl
- Molecular Weight1
- 263.90
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -523.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.297 | Crippen Calculated Property | |
| McVol | 132.300 | ml/mol | McGowan Calculated Property |
| Inp | [1328.00; 1328.00] |
|
|
| Inp | 1328.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Tboil | 501.96 | K | Relay (1.0) Calculated Property |
| Tfus | 282.87 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 |
|---|---|---|---|---|
| Cp,gas | [249.90; 284.79] | J/mol×K | [563.88; 791.01] |
|
| Cp,gas | 249.90 | J/mol×K | 563.88 | Joback Calculated Property |
| Cp,gas | 257.23 | J/mol×K | 601.73 | Joback Calculated Property |
| Cp,gas | 263.91 | J/mol×K | 639.59 | Joback Calculated Property |
| Cp,gas | 269.97 | J/mol×K | 677.44 | Joback Calculated Property |
| Cp,gas | 275.44 | J/mol×K | 715.30 | Joback Calculated Property |
| Cp,gas | 280.37 | J/mol×K | 753.15 | Joback Calculated Property |
| Cp,gas | 284.79 | J/mol×K | 791.01 | Joback Calculated Property |
| η | [0.0002839; 0.0027963] | Pa×s | [360.43; 563.88] |
|
| η | 0.0027963 | Pa×s | 360.43 | Joback Calculated Property |
| η | 0.0016211 | Pa×s | 394.34 | Joback Calculated Property |
| η | 0.0010246 | Pa×s | 428.25 | Joback Calculated Property |
| η | 0.0006927 | Pa×s | 462.15 | Joback Calculated Property |
| η | 0.0004940 | Pa×s | 496.06 | Joback Calculated Property |
| η | 0.0003679 | Pa×s | 529.97 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 563.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,4-dichloro-2-bromo-3-oxobutanoate.
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
- Joback Method
- McGowan Method
- NIST Webbook
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