- InChI
- InChI=1S/C12Br8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
- InChI Key
- XAHTWKGGNHXJRP-UHFFFAOYSA-N
- Formula
- C12Br8O2
- SMILES
-
Brc1c(Br)c(Br)c2c(c1Br)Oc1c(Br
)c(Br)c(Br)c(Br)c1O2 - Molecular Weight1
- 815.36
- Other Names
-
- Octabromo-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° | 201.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 113.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.03 | kJ/mol | Joback Calculated Property |
| log10WS | -12.29 | Crippen Calculated Property | |
| logPoct/wat | 9.685 | Crippen Calculated Property | |
| McVol | 273.300 | ml/mol | McGowan Calculated Property |
| Pc | 7109.36 | kPa | Joback Calculated Property |
| Inp | [4303.00; 4303.00] |
|
|
| Inp | 4303.00 | NIST | |
| Inp | 4303.00 | NIST | |
| Tboil | 1167.44 | K | Joback Calculated Property |
| Tc | 1491.71 | K | Joback Calculated Property |
| Tfus | 960.28 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.89; 602.80] | J/mol×K | [1167.44; 1491.71] |
|
| Cp,gas | 483.89 | J/mol×K | 1167.44 | Joback Calculated Property |
| Cp,gas | 497.02 | J/mol×K | 1221.49 | Joback Calculated Property |
| Cp,gas | 512.39 | J/mol×K | 1275.53 | Joback Calculated Property |
| Cp,gas | 530.33 | J/mol×K | 1329.58 | Joback Calculated Property |
| Cp,gas | 551.15 | J/mol×K | 1383.62 | Joback Calculated Property |
| Cp,gas | 575.20 | J/mol×K | 1437.67 | Joback Calculated Property |
| Cp,gas | 602.80 | J/mol×K | 1491.71 | Joback Calculated Property |
| η | [0.0001253; 0.0002282] | Pa×s | [960.28; 1167.44] |
|
| η | 0.0002282 | Pa×s | 960.28 | Joback Calculated Property |
| η | 0.0002030 | Pa×s | 994.81 | Joback Calculated Property |
| η | 0.0001819 | Pa×s | 1029.33 | Joback Calculated Property |
| η | 0.0001643 | Pa×s | 1063.86 | Joback Calculated Property |
| η | 0.0001492 | Pa×s | 1098.39 | Joback Calculated Property |
| η | 0.0001364 | Pa×s | 1132.91 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 1167.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to octabromodibenzodioxin.
Sources
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