- InChI
- InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
- InChI Key
- JZLQUWSWOJPCAK-UHFFFAOYSA-N
- Formula
- C12H4Br4O2
- SMILES
-
Brc1cc2c(cc1Br)Oc1cc(Br)c(Br)c
c1O2 - Molecular Weight1
- 499.77
- Other Names
-
- 2,3,7,8-Tetrabromodibenzo-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° | 182.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 53.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.64 | Crippen Calculated Property | |
| logPoct/wat | 6.635 | Crippen Calculated Property | |
| McVol | 203.300 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Inp | [2821.00; 2822.00] |
|
|
| Inp | 2821.00 | NIST | |
| Inp | 2821.00 | NIST | |
| Inp | 2822.00 | NIST | |
| Inp | 2821.00 | NIST | |
| Tboil | 882.88 | K | Joback Calculated Property |
| Tc | 1180.48 | K | Joback Calculated Property |
| Tfus | 671.00 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.07; 461.26] | J/mol×K | [882.88; 1180.48] |
|
| Cp,gas | 412.07 | J/mol×K | 882.88 | Joback Calculated Property |
| Cp,gas | 419.55 | J/mol×K | 932.48 | Joback Calculated Property |
| Cp,gas | 427.01 | J/mol×K | 982.08 | Joback Calculated Property |
| Cp,gas | 434.69 | J/mol×K | 1031.68 | Joback Calculated Property |
| Cp,gas | 442.80 | J/mol×K | 1081.28 | Joback Calculated Property |
| Cp,gas | 451.58 | J/mol×K | 1130.88 | Joback Calculated Property |
| Cp,gas | 461.26 | J/mol×K | 1180.48 | Joback Calculated Property |
| η | [0.0003561; 0.0008138] | Pa×s | [671.00; 882.88] |
|
| η | 0.0008138 | Pa×s | 671.00 | Joback Calculated Property |
| η | 0.0006851 | Pa×s | 706.31 | Joback Calculated Property |
| η | 0.0005863 | Pa×s | 741.63 | Joback Calculated Property |
| η | 0.0005088 | Pa×s | 776.94 | Joback Calculated Property |
| η | 0.0004471 | Pa×s | 812.25 | Joback Calculated Property |
| η | 0.0003971 | Pa×s | 847.57 | Joback Calculated Property |
| η | 0.0003561 | Pa×s | 882.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,7,8-tetrabromodibenzo-dioxin.
Sources
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