- InChI
- InChI=1S/C4H5BrCl2O2/c1-9-4(8)2(5)3(6)7/h2-3H,1H3
- InChI Key
- ZRLWLEOCQKMHJV-UHFFFAOYSA-N
- Formula
- C4H5BrCl2O2
- SMILES
- COC(=O)C(Br)C(Cl)Cl
- Molecular Weight1
- 235.89
- 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).
- 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° | -265.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.08 | kJ/mol | Joback Calculated Property |
| log10WS | -1.82 | Crippen Calculated Property | |
| logPoct/wat | 1.727 | Crippen Calculated Property | |
| McVol | 116.640 | ml/mol | McGowan Calculated Property |
| Pc | 4189.32 | kPa | Joback Calculated Property |
| Tboil | 507.35 | K | Joback Calculated Property |
| Tc | 728.17 | K | Joback Calculated Property |
| Tfus | 296.64 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.51; 234.37] | J/mol×K | [507.35; 728.17] | 
|
| Cp,gas | 199.51 | J/mol×K | 507.35 | Joback Calculated Property |
| Cp,gas | 206.27 | J/mol×K | 544.15 | Joback Calculated Property |
| Cp,gas | 212.64 | J/mol×K | 580.96 | Joback Calculated Property |
| Cp,gas | 218.63 | J/mol×K | 617.76 | Joback Calculated Property |
| Cp,gas | 224.25 | J/mol×K | 654.57 | Joback Calculated Property |
| Cp,gas | 229.49 | J/mol×K | 691.37 | Joback Calculated Property |
| Cp,gas | 234.37 | J/mol×K | 728.17 | Joback Calculated Property |
| η | [0.0003289; 0.0038571] | Pa×s | [296.64; 507.35] |
|
| η | 0.0038571 | Pa×s | 296.64 | Joback Calculated Property |
| η | 0.0020594 | Pa×s | 331.76 | Joback Calculated Property |
| η | 0.0012400 | Pa×s | 366.88 | Joback Calculated Property |
| η | 0.0008158 | Pa×s | 402.00 | Joback Calculated Property |
| η | 0.0005740 | Pa×s | 437.11 | Joback Calculated Property |
| η | 0.0004256 | Pa×s | 472.23 | Joback Calculated Property |
| η | 0.0003289 | Pa×s | 507.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-bromo-3,3-dichloro-propanoate.
Sources
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