- InChI
- InChI=1S/C12H2Br3Cl3O2/c13-7-8(14)11-12(9(15)10(7)18)20-6-2-4(17)3(16)1-5(6)19-11/h1-2H
- InChI Key
- VPTNENVAAFPHLD-UHFFFAOYSA-N
- Formula
- C12H2Br3Cl3O2
- SMILES
-
Clc1cc2c(cc1Cl)Oc1c(Br)c(Br)c(
Cl)c(Br)c1O2 - Molecular Weight1
- 524.21
- 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° | 113.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.68 | kJ/mol | Joback Calculated Property |
| log10WS | -8.53 | Crippen Calculated Property | |
| logPoct/wat | 7.832 | Crippen Calculated Property | |
| McVol | 222.520 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Inp | [3100.00; 3100.00] |
|
|
| Inp | 3100.00 | NIST | |
| Inp | 3100.00 | NIST | |
| Tboil | 938.97 | K | Joback Calculated Property |
| Tc | 1230.73 | K | Joback Calculated Property |
| Tfus | 726.00 | K | Joback Calculated Property |
| Vc | 0.833 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.25; 475.38] | J/mol×K | [938.97; 1230.73] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 430 440 450 460 470 1000 1100 1200 | ||||
| Cp,gas | 431.25 | J/mol×K | 938.97 | Joback Calculated Property |
| Cp,gas | 437.74 | J/mol×K | 987.60 | Joback Calculated Property |
| Cp,gas | 444.35 | J/mol×K | 1036.22 | Joback Calculated Property |
| Cp,gas | 451.24 | J/mol×K | 1084.85 | Joback Calculated Property |
| Cp,gas | 458.59 | J/mol×K | 1133.48 | Joback Calculated Property |
| Cp,gas | 466.58 | J/mol×K | 1182.11 | Joback Calculated Property |
| Cp,gas | 475.38 | J/mol×K | 1230.73 | Joback Calculated Property |
| η | [0.0003066; 0.0006566] | Pa×s | [726.00; 938.97] |
|
|
T(K) Dynamic viscosity (Pa×s) 3.00e-4 3.50e-4 4.00e-4 4.50e-4 5.00e-4 5.50e-4 6.00e-4 6.50e-4 750 800 850 900 | ||||
| η | 0.0006566 | Pa×s | 726.00 | Joback Calculated Property |
| η | 0.0005615 | Pa×s | 761.50 | Joback Calculated Property |
| η | 0.0004869 | Pa×s | 796.99 | Joback Calculated Property |
| η | 0.0004273 | Pa×s | 832.49 | Joback Calculated Property |
| η | 0.0003791 | Pa×s | 867.98 | Joback Calculated Property |
| η | 0.0003395 | Pa×s | 903.48 | Joback Calculated Property |
| η | 0.0003066 | Pa×s | 938.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzodioxin, 1,2,4-tribromo-, 3,7,8-trichloro-.
Sources
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