- InChI
- InChI=1S/C12H5BrCl2O2/c13-10-6(14)5-9-12(11(10)15)17-8-4-2-1-3-7(8)16-9/h1-5H
- InChI Key
- XBZQZPFABBXDBG-UHFFFAOYSA-N
- Formula
- C12H5BrCl2O2
- SMILES
- Clc1cc2c(c(Cl)c1Br)Oc1ccccc1O2
- Molecular Weight1
- 331.98
- 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° | 125.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 5.654 | Crippen Calculated Property | |
| McVol | 175.280 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | 2302.00 | NIST | |
| Tboil | 754.28 | K | Joback Calculated Property |
| Tc | 1027.42 | K | Joback Calculated Property |
| Tfus | 538.92 | K | Joback Calculated Property |
| Vc | 0.659 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.64; 426.14] | J/mol×K | [754.28; 1027.42] | 
|
| Cp,gas | 381.64 | J/mol×K | 754.28 | Joback Calculated Property |
| Cp,gas | 390.26 | J/mol×K | 799.80 | Joback Calculated Property |
| Cp,gas | 398.22 | J/mol×K | 845.33 | Joback Calculated Property |
| Cp,gas | 405.64 | J/mol×K | 890.85 | Joback Calculated Property |
| Cp,gas | 412.67 | J/mol×K | 936.37 | Joback Calculated Property |
| Cp,gas | 419.46 | J/mol×K | 981.90 | Joback Calculated Property |
| Cp,gas | 426.14 | J/mol×K | 1027.42 | Joback Calculated Property |
| η | [0.0004801; 0.0012797] | Pa×s | [538.92; 754.28] |
|
| η | 0.0012797 | Pa×s | 538.92 | Joback Calculated Property |
| η | 0.0010327 | Pa×s | 574.81 | Joback Calculated Property |
| η | 0.0008547 | Pa×s | 610.71 | Joback Calculated Property |
| η | 0.0007224 | Pa×s | 646.60 | Joback Calculated Property |
| η | 0.0006214 | Pa×s | 682.49 | Joback Calculated Property |
| η | 0.0005427 | Pa×s | 718.39 | Joback Calculated Property |
| η | 0.0004801 | Pa×s | 754.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-bromo,1,3-dichloro-dibenzo-dioxin.
Sources
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