- 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).
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -378.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.53 | kJ/mol | Joback Calculated Property |
| log10WS | -1.40 | Crippen Calculated Property | |
| logPoct/wat | 1.297 | Crippen Calculated Property | |
| McVol | 132.300 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Inp | [1328.00; 1328.00] |
|
|
| Inp | 1328.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Tboil | 581.75 | K | Joback Calculated Property |
| Tc | 811.21 | K | Joback Calculated Property |
| Tfus | 390.26 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.27; 284.37] | J/mol×K | [581.75; 811.21] |
|
| Cp,gas | 250.27 | J/mol×K | 581.75 | Joback Calculated Property |
| Cp,gas | 257.30 | J/mol×K | 619.99 | Joback Calculated Property |
| Cp,gas | 263.74 | J/mol×K | 658.24 | Joback Calculated Property |
| Cp,gas | 269.64 | J/mol×K | 696.48 | Joback Calculated Property |
| Cp,gas | 275.02 | J/mol×K | 734.72 | Joback Calculated Property |
| Cp,gas | 279.92 | J/mol×K | 772.97 | Joback Calculated Property |
| Cp,gas | 284.37 | J/mol×K | 811.21 | Joback Calculated Property |
| η | [0.0003041; 0.0020519] | Pa×s | [390.26; 581.75] |
|
| η | 0.0020519 | Pa×s | 390.26 | Joback Calculated Property |
| η | 0.0013235 | Pa×s | 422.18 | Joback Calculated Property |
| η | 0.0009079 | Pa×s | 454.09 | Joback Calculated Property |
| η | 0.0006545 | Pa×s | 486.00 | Joback Calculated Property |
| η | 0.0004912 | Pa×s | 517.92 | Joback Calculated Property |
| η | 0.0003811 | Pa×s | 549.84 | Joback Calculated Property |
| η | 0.0003041 | Pa×s | 581.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,4-dichloro-2-bromo-3-oxobutanoate.
Sources
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