- InChI
- InChI=1S/C3H4BrClO2/c1-7-3(6)2(4)5/h2H,1H3
- InChI Key
- WIBYPHGWXYLWQX-UHFFFAOYSA-N
- Formula
- C3H4BrClO2
- SMILES
- COC(=O)C(Cl)Br
- Molecular Weight1
- 187.42
- CAS
- 20428-74-4
- Other Names
-
- Methyl bromochloroacetate
- 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 | 0.4031 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -376.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.119 | Crippen Calculated Property | |
| McVol | 90.310 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Inp | [892.00; 892.00] |
|
|
| Inp | 892.00 | NIST | |
| Inp | 892.00 | NIST | |
| Tboil | 436.75 | K | Relay (1.0) Calculated Property |
| Tc | 643.81 | K | Relay (1.0) Calculated Property |
| Tfus | 236.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.326 | 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 | [142.37; 172.56] | J/mol×K | [429.61; 638.99] |
|
| Cp,gas | 142.37 | J/mol×K | 429.61 | Joback Calculated Property |
| Cp,gas | 148.16 | J/mol×K | 464.51 | Joback Calculated Property |
| Cp,gas | 153.64 | J/mol×K | 499.40 | Joback Calculated Property |
| Cp,gas | 158.82 | J/mol×K | 534.30 | Joback Calculated Property |
| Cp,gas | 163.70 | J/mol×K | 569.19 | Joback Calculated Property |
| Cp,gas | 168.28 | J/mol×K | 604.09 | Joback Calculated Property |
| Cp,gas | 172.56 | J/mol×K | 638.99 | Joback Calculated Property |
| η | [0.0003776; 0.0056158] | Pa×s | [240.62; 429.61] |
|
| η | 0.0056158 | Pa×s | 240.62 | Joback Calculated Property |
| η | 0.0027601 | Pa×s | 272.12 | Joback Calculated Property |
| η | 0.0015720 | Pa×s | 303.62 | Joback Calculated Property |
| η | 0.0009952 | Pa×s | 335.12 | Joback Calculated Property |
| η | 0.0006816 | Pa×s | 366.61 | Joback Calculated Property |
| η | 0.0004956 | Pa×s | 398.11 | Joback Calculated Property |
| η | 0.0003776 | Pa×s | 429.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, bromochloro-, methyl ester.
Sources
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