- 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
- ω : Acentric Factor.
- 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).
- 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 | 0.4205 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -440.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.92 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.727 | Crippen Calculated Property | |
| McVol | 116.640 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Tboil | 468.42 | K | Relay (1.0) Calculated Property |
| Tc | 684.32 | K | Relay (1.0) Calculated Property |
| Tfus | 302.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [198.83; 234.77] | J/mol×K | [489.48; 707.28] | 
|
| Cp,gas | 198.83 | J/mol×K | 489.48 | Joback Calculated Property |
| Cp,gas | 205.91 | J/mol×K | 525.78 | Joback Calculated Property |
| Cp,gas | 212.54 | J/mol×K | 562.08 | Joback Calculated Property |
| Cp,gas | 218.73 | J/mol×K | 598.38 | Joback Calculated Property |
| Cp,gas | 224.50 | J/mol×K | 634.68 | Joback Calculated Property |
| Cp,gas | 229.84 | J/mol×K | 670.98 | Joback Calculated Property |
| Cp,gas | 234.77 | J/mol×K | 707.28 | Joback Calculated Property |
| η | [0.0003099; 0.0064432] | Pa×s | [266.81; 489.48] |
|
| η | 0.0064432 | Pa×s | 266.81 | Joback Calculated Property |
| η | 0.0028532 | Pa×s | 303.92 | Joback Calculated Property |
| η | 0.0015086 | Pa×s | 341.03 | Joback Calculated Property |
| η | 0.0009039 | Pa×s | 378.14 | Joback Calculated Property |
| η | 0.0005935 | Pa×s | 415.26 | Joback Calculated Property |
| η | 0.0004176 | Pa×s | 452.37 | Joback Calculated Property |
| η | 0.0003099 | Pa×s | 489.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-bromo-3,3-dichloro-propanoate.
Sources
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