- InChI
- InChI=1S/C12H2BrCl5O2/c13-3-1-4(14)7(17)11-9(3)19-10-6(16)2-5(15)8(18)12(10)20-11/h1-2H
- InChI Key
- PQTJVTYJIMUVQF-UHFFFAOYSA-N
- Formula
- C12H2BrCl5O2
- SMILES
-
Clc1cc(Cl)c2c(c1Cl)Oc1c(Cl)c(C
l)cc(Br)c1O2 - Molecular Weight1
- 435.31
- 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° | 60.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.58 | kJ/mol | Joback Calculated Property |
| log10WS | -7.57 | Crippen Calculated Property | |
| logPoct/wat | 7.614 | Crippen Calculated Property | |
| McVol | 212.000 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Inp | [2769.00; 2769.00] |
|
|
| Inp | 2769.00 | NIST | |
| Inp | 2769.00 | NIST | |
| Tboil | 881.51 | K | Joback Calculated Property |
| Tc | 1159.42 | K | Joback Calculated Property |
| Tfus | 666.24 | K | Joback Calculated Property |
| Vc | 0.806 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.41; 458.23] | J/mol×K | [881.51; 1159.42] |
|
| Cp,gas | 422.41 | J/mol×K | 881.51 | Joback Calculated Property |
| Cp,gas | 428.61 | J/mol×K | 927.83 | Joback Calculated Property |
| Cp,gas | 434.56 | J/mol×K | 974.15 | Joback Calculated Property |
| Cp,gas | 440.37 | J/mol×K | 1020.46 | Joback Calculated Property |
| Cp,gas | 446.17 | J/mol×K | 1066.78 | Joback Calculated Property |
| Cp,gas | 452.08 | J/mol×K | 1113.10 | Joback Calculated Property |
| Cp,gas | 458.23 | J/mol×K | 1159.42 | Joback Calculated Property |
| η | [0.0003648; 0.0008204] | Pa×s | [666.24; 881.51] |
|
| η | 0.0008204 | Pa×s | 666.24 | Joback Calculated Property |
| η | 0.0006924 | Pa×s | 702.12 | Joback Calculated Property |
| η | 0.0005942 | Pa×s | 738.00 | Joback Calculated Property |
| η | 0.0005171 | Pa×s | 773.88 | Joback Calculated Property |
| η | 0.0004556 | Pa×s | 809.75 | Joback Calculated Property |
| η | 0.0004058 | Pa×s | 845.63 | Joback Calculated Property |
| η | 0.0003648 | Pa×s | 881.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzodioxin, 4-bromo-, 1,2,6,8,9-pentachloro-.
Sources
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