- InChI
- InChI=1S/C12H2Br6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H
- InChI Key
- JGZILVYVJLWSIH-UHFFFAOYSA-N
- Formula
- C12H2Br6O2
- SMILES
-
Brc1cc2c(cc1Br)Oc1c(Br)c(Br)c(
Br)c(Br)c1O2 - Molecular Weight1
- 657.57
- Other Names
-
- 1,2,3,4,7,8-hexabromo-dibenzo-p-dioxin
- 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° | 192.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.83 | kJ/mol | Joback Calculated Property |
| log10WS | -9.96 | Crippen Calculated Property | |
| logPoct/wat | 8.160 | Crippen Calculated Property | |
| McVol | 238.300 | ml/mol | McGowan Calculated Property |
| Pc | 5972.16 | kPa | Joback Calculated Property |
| Inp | [3534.00; 3534.00] |
|
|
| Inp | 3534.00 | NIST | |
| Inp | 3534.00 | NIST | |
| Inp | 3534.00 | NIST | |
| Tboil | 1025.16 | K | Joback Calculated Property |
| Tc | 1336.99 | K | Joback Calculated Property |
| Tfus | 815.64 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.63; 516.60] | J/mol×K | [1025.16; 1336.99] |
|
| Cp,gas | 445.63 | J/mol×K | 1025.16 | Joback Calculated Property |
| Cp,gas | 454.07 | J/mol×K | 1077.13 | Joback Calculated Property |
| Cp,gas | 463.50 | J/mol×K | 1129.10 | Joback Calculated Property |
| Cp,gas | 474.20 | J/mol×K | 1181.08 | Joback Calculated Property |
| Cp,gas | 486.42 | J/mol×K | 1233.05 | Joback Calculated Property |
| Cp,gas | 500.46 | J/mol×K | 1285.02 | Joback Calculated Property |
| Cp,gas | 516.60 | J/mol×K | 1336.99 | Joback Calculated Property |
| η | [0.0002201; 0.0004414] | Pa×s | [815.64; 1025.16] |
|
| η | 0.0004414 | Pa×s | 815.64 | Joback Calculated Property |
| η | 0.0003838 | Pa×s | 850.56 | Joback Calculated Property |
| η | 0.0003374 | Pa×s | 885.48 | Joback Calculated Property |
| η | 0.0002996 | Pa×s | 920.40 | Joback Calculated Property |
| η | 0.0002683 | Pa×s | 955.32 | Joback Calculated Property |
| η | 0.0002421 | Pa×s | 990.24 | Joback Calculated Property |
| η | 0.0002201 | Pa×s | 1025.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzodioxin, 1,2,3,4,7,8-hexabromo-.
Sources
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