- InChI
- InChI=1S/C8H5BrCl2O2/c9-4-8(12)13-5-1-2-6(10)7(11)3-5/h1-3H,4H2
- InChI Key
- BWDIBLSMEKLSNP-UHFFFAOYSA-N
- Formula
- C8H5BrCl2O2
- SMILES
- O=C(CBr)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 283.93
- 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° | -133.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.294 | Crippen Calculated Property | |
| McVol | 149.240 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Inp | 1683.00 | NIST | |
| Tboil | 636.39 | K | Joback Calculated Property |
| Tc | 880.75 | K | Joback Calculated Property |
| Tfus | 423.18 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.70; 327.87] | J/mol×K | [636.39; 880.75] | 
|
| Cp,gas | 286.70 | J/mol×K | 636.39 | Joback Calculated Property |
| Cp,gas | 295.10 | J/mol×K | 677.12 | Joback Calculated Property |
| Cp,gas | 302.86 | J/mol×K | 717.84 | Joback Calculated Property |
| Cp,gas | 310.00 | J/mol×K | 758.57 | Joback Calculated Property |
| Cp,gas | 316.54 | J/mol×K | 799.29 | Joback Calculated Property |
| Cp,gas | 322.49 | J/mol×K | 840.02 | Joback Calculated Property |
| Cp,gas | 327.87 | J/mol×K | 880.75 | Joback Calculated Property |
| η | [0.0002256; 0.0010906] | Pa×s | [423.18; 636.39] |
|
| η | 0.0010906 | Pa×s | 423.18 | Joback Calculated Property |
| η | 0.0007576 | Pa×s | 458.72 | Joback Calculated Property |
| η | 0.0005546 | Pa×s | 494.25 | Joback Calculated Property |
| η | 0.0004233 | Pa×s | 529.78 | Joback Calculated Property |
| η | 0.0003343 | Pa×s | 565.32 | Joback Calculated Property |
| η | 0.0002714 | Pa×s | 600.86 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 636.39 | Joback Calculated Property |
Similar Compounds
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Sources
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