- InChI
- InChI=1S/C12H3BrCl4O2/c13-9-5(15)3-8-12(10(9)17)19-7-2-4(14)1-6(16)11(7)18-8/h1-3H
- InChI Key
- ZYARLMQXDLGDGE-UHFFFAOYSA-N
- Formula
- C12H3BrCl4O2
- SMILES
-
Clc1cc(Cl)c2c(c1)Oc1c(cc(Cl)c(
Br)c1Cl)O2 - Molecular Weight1
- 400.87
- Other Names
-
- Dibenzodioxin, 2-bromo-, 1,3,6,8-tetrachloro-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6538 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.961 | Crippen Calculated Property | |
| McVol | 199.760 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Inp | [2612.00; 2612.00] |
|
|
| Inp | 2612.00 | NIST | |
| Inp | 2612.00 | NIST | |
| Inp | 2612.00 | NIST | |
| Tboil | 649.64 | K | Relay (1.0) Calculated Property |
| Tc | 984.35 | K | Relay (1.0) Calculated Property |
| Tfus | 442.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.99; 448.04] | J/mol×K | [839.10; 1115.62] |
|
| Cp,gas | 409.99 | J/mol×K | 839.10 | Joback Calculated Property |
| Cp,gas | 416.86 | J/mol×K | 885.19 | Joback Calculated Property |
| Cp,gas | 423.34 | J/mol×K | 931.27 | Joback Calculated Property |
| Cp,gas | 429.57 | J/mol×K | 977.36 | Joback Calculated Property |
| Cp,gas | 435.68 | J/mol×K | 1023.45 | Joback Calculated Property |
| Cp,gas | 441.80 | J/mol×K | 1069.53 | Joback Calculated Property |
| Cp,gas | 448.04 | J/mol×K | 1115.62 | Joback Calculated Property |
| η | [0.0004037; 0.0009540] | Pa×s | [623.80; 839.10] |
|
| η | 0.0009540 | Pa×s | 623.80 | Joback Calculated Property |
| η | 0.0007950 | Pa×s | 659.68 | Joback Calculated Property |
| η | 0.0006751 | Pa×s | 695.57 | Joback Calculated Property |
| η | 0.0005825 | Pa×s | 731.45 | Joback Calculated Property |
| η | 0.0005097 | Pa×s | 767.33 | Joback Calculated Property |
| η | 0.0004512 | Pa×s | 803.22 | Joback Calculated Property |
| η | 0.0004037 | Pa×s | 839.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-bromo-1,3,6,8-tetrachloro-dibenzo-p-dioxin.
Sources
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