- InChI
- InChI=1S/C3H4BrClO2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
- InChI Key
- DQCULHMEDFODNL-UHFFFAOYSA-N
- Formula
- C3H4BrClO2
- SMILES
- CC(Cl)(Br)C(=O)O
- Molecular Weight1
- 187.42
- CAS
- 92018-32-1
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -435.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| IE | 10.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.421 | Crippen Calculated Property | |
| McVol | 90.310 | ml/mol | McGowan Calculated Property |
| Tboil | 477.82 | K | Relay (1.0) Calculated Property |
| Tfus | 327.14 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [160.84; 187.10] | J/mol×K | [514.11; 747.18] | 
|
| Cp,gas | 160.84 | J/mol×K | 514.11 | Joback Calculated Property |
| Cp,gas | 166.51 | J/mol×K | 552.95 | Joback Calculated Property |
| Cp,gas | 171.59 | J/mol×K | 591.80 | Joback Calculated Property |
| Cp,gas | 176.12 | J/mol×K | 630.64 | Joback Calculated Property |
| Cp,gas | 180.18 | J/mol×K | 669.49 | Joback Calculated Property |
| Cp,gas | 183.82 | J/mol×K | 708.33 | Joback Calculated Property |
| Cp,gas | 187.10 | J/mol×K | 747.18 | Joback Calculated Property |
| η | [0.0004070; 0.0017636] | Pa×s | [376.31; 514.11] |
|
| η | 0.0017636 | Pa×s | 376.31 | Joback Calculated Property |
| η | 0.0012875 | Pa×s | 399.28 | Joback Calculated Property |
| η | 0.0009726 | Pa×s | 422.24 | Joback Calculated Property |
| η | 0.0007564 | Pa×s | 445.21 | Joback Calculated Property |
| η | 0.0006029 | Pa×s | 468.18 | Joback Calculated Property |
| η | 0.0004908 | Pa×s | 491.14 | Joback Calculated Property |
| η | 0.0004070 | Pa×s | 514.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha-bromo alpha-chloro-propionic acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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