- 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
- 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° | -251.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 1.162 | Crippen Calculated Property | |
| McVol | 104.400 | ml/mol | McGowan Calculated Property |
| Pc | 4351.13 | kPa | Joback Calculated Property |
| Inp | 974.00 | NIST | |
| Tboil | 470.36 | K | Joback Calculated Property |
| Tc | 680.56 | K | Joback Calculated Property |
| Tfus | 281.72 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.47; 216.39] | J/mol×K | [470.36; 680.56] | 
|
| Cp,gas | 179.47 | J/mol×K | 470.36 | Joback Calculated Property |
| Cp,gas | 186.44 | J/mol×K | 505.39 | Joback Calculated Property |
| Cp,gas | 193.08 | J/mol×K | 540.43 | Joback Calculated Property |
| Cp,gas | 199.40 | J/mol×K | 575.46 | Joback Calculated Property |
| Cp,gas | 205.38 | J/mol×K | 610.49 | Joback Calculated Property |
| Cp,gas | 211.04 | J/mol×K | 645.53 | Joback Calculated Property |
| Cp,gas | 216.39 | J/mol×K | 680.56 | Joback Calculated Property |
| η | [0.0003628; 0.0032925] | Pa×s | [281.72; 470.36] |
|
| η | 0.0032925 | Pa×s | 281.72 | Joback Calculated Property |
| η | 0.0018956 | Pa×s | 313.16 | Joback Calculated Property |
| η | 0.0012070 | Pa×s | 344.60 | Joback Calculated Property |
| η | 0.0008288 | Pa×s | 376.04 | Joback Calculated Property |
| η | 0.0006031 | Pa×s | 407.48 | Joback Calculated Property |
| η | 0.0004593 | Pa×s | 438.92 | Joback Calculated Property |
| η | 0.0003628 | Pa×s | 470.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,3-bromochloropropanoate.
Sources
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