- InChI
- InChI=1S/C7H4Br2Cl2O/c1-12-7-5(8)3(10)2-4(11)6(7)9/h2H,1H3
- InChI Key
- KLYZBTSHILXGNE-UHFFFAOYSA-N
- Formula
- C7H4Br2Cl2O
- SMILES
- COc1c(Br)c(Cl)cc(Cl)c1Br
- Molecular Weight1
- 334.82
- 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° | -18.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -108.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 4.527 | Crippen Calculated Property | |
| McVol | 151.080 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Inp | [1847.00; 1847.00] |
|
|
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Tboil | 635.76 | K | Joback Calculated Property |
| Tc | 893.38 | K | Joback Calculated Property |
| Tfus | 446.82 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.95; 293.03] | J/mol×K | [635.76; 893.38] |
|
| Cp,gas | 257.95 | J/mol×K | 635.76 | Joback Calculated Property |
| Cp,gas | 264.97 | J/mol×K | 678.70 | Joback Calculated Property |
| Cp,gas | 271.51 | J/mol×K | 721.63 | Joback Calculated Property |
| Cp,gas | 277.57 | J/mol×K | 764.57 | Joback Calculated Property |
| Cp,gas | 283.17 | J/mol×K | 807.51 | Joback Calculated Property |
| Cp,gas | 288.32 | J/mol×K | 850.44 | Joback Calculated Property |
| Cp,gas | 293.03 | J/mol×K | 893.38 | Joback Calculated Property |
| η | [0.0002123; 0.0007182] | Pa×s | [446.82; 635.76] |
|
| η | 0.0007182 | Pa×s | 446.82 | Joback Calculated Property |
| η | 0.0005483 | Pa×s | 478.31 | Joback Calculated Property |
| η | 0.0004327 | Pa×s | 509.80 | Joback Calculated Property |
| η | 0.0003511 | Pa×s | 541.29 | Joback Calculated Property |
| η | 0.0002915 | Pa×s | 572.78 | Joback Calculated Property |
| η | 0.0002467 | Pa×s | 604.27 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 635.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dibromo-3,5-dichloroanisole.
Sources
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