- InChI
- InChI=1S/C12HBrCl6O2/c13-4-6(17)7(18)8(19)12-10(4)21-11-5(16)2(14)1-3(15)9(11)20-12/h1H
- InChI Key
- WDKXQHLCDSRHQV-UHFFFAOYSA-N
- Formula
- C12HBrCl6O2
- SMILES
-
Clc1cc(Cl)c2c(c1Cl)Oc1c(Br)c(C
l)c(Cl)c(Cl)c1O2 - Molecular Weight1
- 469.76
- 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° | 39.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -153.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.63 | kJ/mol | Joback Calculated Property |
| log10WS | -8.26 | Crippen Calculated Property | |
| logPoct/wat | 8.268 | Crippen Calculated Property | |
| McVol | 224.240 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Inp | [3015.00; 3015.00] |
|
|
| Inp | 3015.00 | NIST | |
| Inp | 3015.00 | NIST | |
| Tboil | 923.92 | K | Joback Calculated Property |
| Tc | 1203.14 | K | Joback Calculated Property |
| Tfus | 708.68 | K | Joback Calculated Property |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.87; 467.95] | J/mol×K | [923.92; 1203.14] |
|
| Cp,gas | 433.87 | J/mol×K | 923.92 | Joback Calculated Property |
| Cp,gas | 439.53 | J/mol×K | 970.46 | Joback Calculated Property |
| Cp,gas | 445.05 | J/mol×K | 1016.99 | Joback Calculated Property |
| Cp,gas | 450.53 | J/mol×K | 1063.53 | Joback Calculated Property |
| Cp,gas | 456.10 | J/mol×K | 1110.07 | Joback Calculated Property |
| Cp,gas | 461.87 | J/mol×K | 1156.61 | Joback Calculated Property |
| Cp,gas | 467.95 | J/mol×K | 1203.14 | Joback Calculated Property |
| η | [0.0003272; 0.0007039] | Pa×s | [708.68; 923.92] |
|
| η | 0.0007039 | Pa×s | 708.68 | Joback Calculated Property |
| η | 0.0006007 | Pa×s | 744.55 | Joback Calculated Property |
| η | 0.0005202 | Pa×s | 780.43 | Joback Calculated Property |
| η | 0.0004562 | Pa×s | 816.30 | Joback Calculated Property |
| η | 0.0004046 | Pa×s | 852.17 | Joback Calculated Property |
| η | 0.0003623 | Pa×s | 888.05 | Joback Calculated Property |
| η | 0.0003272 | Pa×s | 923.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-bromo,2,3,4,6,8,9-hexachloro-dibenzo-dioxin.
Sources
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