- InChI
- InChI=1S/C12H4Br2Cl2O2/c13-5-4-6(14)10-12(9(5)16)17-8-3-1-2-7(15)11(8)18-10/h1-4H
- InChI Key
- MJJHTRZNLDYMFY-UHFFFAOYSA-N
- Formula
- C12H4Br2Cl2O2
- SMILES
-
Clc1cccc2c1Oc1c(Br)cc(Br)c(Cl)
c1O2 - Molecular Weight1
- 410.87
- 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° | 130.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.54 | kJ/mol | Joback Calculated Property |
| log10WS | -6.68 | Crippen Calculated Property | |
| logPoct/wat | 6.416 | Crippen Calculated Property | |
| McVol | 192.780 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Inp | [2560.00; 2560.00] |
|
|
| Inp | 2560.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Tboil | 825.42 | K | Joback Calculated Property |
| Tc | 1108.05 | K | Joback Calculated Property |
| Tfus | 611.24 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.92; 444.20] | J/mol×K | [825.42; 1108.05] |
|
| Cp,gas | 401.92 | J/mol×K | 825.42 | Joback Calculated Property |
| Cp,gas | 409.40 | J/mol×K | 872.53 | Joback Calculated Property |
| Cp,gas | 416.49 | J/mol×K | 919.63 | Joback Calculated Property |
| Cp,gas | 423.35 | J/mol×K | 966.74 | Joback Calculated Property |
| Cp,gas | 430.15 | J/mol×K | 1013.84 | Joback Calculated Property |
| Cp,gas | 437.04 | J/mol×K | 1060.95 | Joback Calculated Property |
| Cp,gas | 444.20 | J/mol×K | 1108.05 | Joback Calculated Property |
| η | [0.0004177; 0.0010117] | Pa×s | [611.24; 825.42] |
|
| η | 0.0010117 | Pa×s | 611.24 | Joback Calculated Property |
| η | 0.0008382 | Pa×s | 646.94 | Joback Calculated Property |
| η | 0.0007082 | Pa×s | 682.63 | Joback Calculated Property |
| η | 0.0006085 | Pa×s | 718.33 | Joback Calculated Property |
| η | 0.0005304 | Pa×s | 754.03 | Joback Calculated Property |
| η | 0.0004681 | Pa×s | 789.72 | Joback Calculated Property |
| η | 0.0004177 | Pa×s | 825.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-dibromo,4,9-dichloro-dibenzo-dioxin.
Sources
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