- InChI
- InChI=1S/C4H6BrClO2/c1-8-4(7)3(5)2-6/h3H,2H2,1H3
- InChI Key
- NEVWUGHIWINQQQ-UHFFFAOYSA-N
- Formula
- C4H6BrClO2
- SMILES
- COC(=O)C(Br)CCl
- Molecular Weight1
- 201.45
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4421 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -428.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.162 | Crippen Calculated Property | |
| McVol | 104.400 | ml/mol | McGowan Calculated Property |
| Pc | 4124.99 | kPa | Joback Calculated Property |
| Inp | 974.00 | NIST | |
| Tboil | 455.90 | K | Relay (1.0) Calculated Property |
| Tc | 672.47 | K | Relay (1.0) Calculated Property |
| Tfus | 286.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | 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 | [178.24; 216.40] | J/mol×K | [452.49; 659.28] | 
|
| Cp,gas | 178.24 | J/mol×K | 452.49 | Joback Calculated Property |
| Cp,gas | 185.54 | J/mol×K | 486.95 | Joback Calculated Property |
| Cp,gas | 192.46 | J/mol×K | 521.42 | Joback Calculated Property |
| Cp,gas | 199.01 | J/mol×K | 555.88 | Joback Calculated Property |
| Cp,gas | 205.17 | J/mol×K | 590.35 | Joback Calculated Property |
| Cp,gas | 210.97 | J/mol×K | 624.81 | Joback Calculated Property |
| Cp,gas | 216.40 | J/mol×K | 659.28 | Joback Calculated Property |
| η | [0.0003442; 0.0054631] | Pa×s | [251.89; 452.49] |
|
| η | 0.0054631 | Pa×s | 251.89 | Joback Calculated Property |
| η | 0.0026309 | Pa×s | 285.32 | Joback Calculated Property |
| η | 0.0014769 | Pa×s | 318.76 | Joback Calculated Property |
| η | 0.0009251 | Pa×s | 352.19 | Joback Calculated Property |
| η | 0.0006284 | Pa×s | 385.62 | Joback Calculated Property |
| η | 0.0004541 | Pa×s | 419.06 | Joback Calculated Property |
| η | 0.0003442 | Pa×s | 452.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,3-bromochloropropanoate.
Sources
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