- 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
- 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° | -259.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.86 | kJ/mol | Joback Calculated Property |
| log10WS | -1.13 | Crippen Calculated Property | |
| logPoct/wat | 1.119 | Crippen Calculated Property | |
| McVol | 90.310 | ml/mol | McGowan Calculated Property |
| Pc | 4959.33 | kPa | Joback Calculated Property |
| Inp | [892.00; 892.00] |
|
|
| Inp | 892.00 | NIST | |
| Inp | 892.00 | NIST | |
| Tboil | 447.48 | K | Joback Calculated Property |
| Tc | 660.61 | K | Joback Calculated Property |
| Tfus | 270.45 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.95; 171.84] | J/mol×K | [447.48; 660.61] |
|
| Cp,gas | 142.95 | J/mol×K | 447.48 | Joback Calculated Property |
| Cp,gas | 148.40 | J/mol×K | 483.00 | Joback Calculated Property |
| Cp,gas | 153.59 | J/mol×K | 518.52 | Joback Calculated Property |
| Cp,gas | 158.53 | J/mol×K | 554.04 | Joback Calculated Property |
| Cp,gas | 163.21 | J/mol×K | 589.56 | Joback Calculated Property |
| Cp,gas | 167.65 | J/mol×K | 625.08 | Joback Calculated Property |
| Cp,gas | 171.84 | J/mol×K | 660.61 | Joback Calculated Property |
| η | [0.0003949; 0.0033184] | Pa×s | [270.45; 447.48] |
|
| η | 0.0033184 | Pa×s | 270.45 | Joback Calculated Property |
| η | 0.0019547 | Pa×s | 299.95 | Joback Calculated Property |
| η | 0.0012659 | Pa×s | 329.46 | Joback Calculated Property |
| η | 0.0008805 | Pa×s | 358.97 | Joback Calculated Property |
| η | 0.0006472 | Pa×s | 388.47 | Joback Calculated Property |
| η | 0.0004968 | Pa×s | 417.98 | Joback Calculated Property |
| η | 0.0003949 | Pa×s | 447.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, bromochloro-, methyl ester.
Sources
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