- InChI
- InChI=1S/C11H10Br2Cl2O3/c1-11(14,15)10(16)18-5-4-17-9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3
- InChI Key
- RJZAJEHYXYGMOO-UHFFFAOYSA-N
- Formula
- C11H10Br2Cl2O3
- SMILES
-
CC(Cl)(Cl)C(=O)OCCOc1ccc(Br)cc
1Br - Molecular Weight1
- 420.91
- CAS
- 99983-48-9
- 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).
- 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° | -196.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.327 | Crippen Calculated Property | |
| McVol | 214.880 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Tboil | 790.38 | K | Joback Calculated Property |
| Tc | 1039.23 | K | Joback Calculated Property |
| Tfus | 541.44 | K | Joback Calculated Property |
| Vc | 0.796 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.96; 529.77] | J/mol×K | [790.38; 1039.23] | 
|
| Cp,gas | 484.96 | J/mol×K | 790.38 | Joback Calculated Property |
| Cp,gas | 494.39 | J/mol×K | 831.86 | Joback Calculated Property |
| Cp,gas | 502.95 | J/mol×K | 873.33 | Joback Calculated Property |
| Cp,gas | 510.72 | J/mol×K | 914.81 | Joback Calculated Property |
| Cp,gas | 517.74 | J/mol×K | 956.28 | Joback Calculated Property |
| Cp,gas | 524.07 | J/mol×K | 997.76 | Joback Calculated Property |
| Cp,gas | 529.77 | J/mol×K | 1039.23 | Joback Calculated Property |
| η | [0.0000771; 0.0004213] | Pa×s | [541.44; 790.38] |
|
| η | 0.0004213 | Pa×s | 541.44 | Joback Calculated Property |
| η | 0.0002870 | Pa×s | 582.93 | Joback Calculated Property |
| η | 0.0002057 | Pa×s | 624.42 | Joback Calculated Property |
| η | 0.0001537 | Pa×s | 665.91 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 707.40 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 748.89 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 790.38 | Joback Calculated Property |
Similar Compounds
Sources
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