- InChI
- InChI=1S/C9H7BrCl2O2/c1-5(10)9(13)14-6-2-3-7(11)8(12)4-6/h2-5H,1H3
- InChI Key
- HOKTYFOLCUZQDD-UHFFFAOYSA-N
- Formula
- C9H7BrCl2O2
- SMILES
- CC(Br)C(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 297.96
- 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° | -127.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.682 | Crippen Calculated Property | |
| McVol | 163.330 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | 1698.00 | NIST | |
| Tboil | 658.83 | K | Joback Calculated Property |
| Tc | 903.07 | K | Joback Calculated Property |
| Tfus | 419.45 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.57; 380.56] | J/mol×K | [658.83; 903.07] | 
|
| Cp,gas | 333.57 | J/mol×K | 658.83 | Joback Calculated Property |
| Cp,gas | 343.18 | J/mol×K | 699.54 | Joback Calculated Property |
| Cp,gas | 352.04 | J/mol×K | 740.24 | Joback Calculated Property |
| Cp,gas | 360.19 | J/mol×K | 780.95 | Joback Calculated Property |
| Cp,gas | 367.64 | J/mol×K | 821.66 | Joback Calculated Property |
| Cp,gas | 374.42 | J/mol×K | 862.36 | Joback Calculated Property |
| Cp,gas | 380.56 | J/mol×K | 903.07 | Joback Calculated Property |
| η | [0.0001864; 0.0011717] | Pa×s | [419.45; 658.83] |
|
| η | 0.0011717 | Pa×s | 419.45 | Joback Calculated Property |
| η | 0.0007550 | Pa×s | 459.35 | Joback Calculated Property |
| η | 0.0005219 | Pa×s | 499.24 | Joback Calculated Property |
| η | 0.0003811 | Pa×s | 539.14 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 579.04 | Joback Calculated Property |
| η | 0.0002294 | Pa×s | 618.93 | Joback Calculated Property |
| η | 0.0001864 | Pa×s | 658.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionic acid, 3,4-dichlorophenyl ester.
Sources
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