- InChI
- InChI=1S/C12H5Br3O2/c13-6-1-2-9-10(4-6)16-11-5-7(14)3-8(15)12(11)17-9/h1-5H
- InChI Key
- RIATZSLLGBMQMM-UHFFFAOYSA-N
- Formula
- C12H5Br3O2
- SMILES
-
Brc1ccc2c(c1)Oc1cc(Br)cc(Br)c1
O2 - Molecular Weight1
- 420.88
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6091 | Relay (... Calculated Property | |
| ΔfG° | 178.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 17.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.76 | kJ/mol | Relay (... Calculated Property |
| IE | 7.84 | eV | Relay (... Calculated Property |
| log10WS | -9.07 | Relay (... Calculated Property | |
| logPoct/wat | 5.872 | Crippen Calculated Property | |
| McVol | 185.800 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Inp | [2428.00; 2428.00] |
|
|
| Inp | 2428.00 | NIST | |
| Inp | 2428.00 | NIST | |
| Tboil | 645.72 | K | Relay (... Calculated Property |
| Tc | 947.55 | K | Relay (... Calculated Property |
| Tfus | 438.60 | K | Relay (... Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.63; 440.15] | J/mol×K | [811.74; 1100.91] |
|
| Cp,gas | 393.63 | J/mol×K | 811.74 | Joback Calculated Property |
| Cp,gas | 401.75 | J/mol×K | 859.93 | Joback Calculated Property |
| Cp,gas | 409.45 | J/mol×K | 908.13 | Joback Calculated Property |
| Cp,gas | 416.95 | J/mol×K | 956.32 | Joback Calculated Property |
| Cp,gas | 424.43 | J/mol×K | 1004.52 | Joback Calculated Property |
| Cp,gas | 432.09 | J/mol×K | 1052.71 | Joback Calculated Property |
| Cp,gas | 440.15 | J/mol×K | 1100.91 | Joback Calculated Property |
| η | [0.0004323; 0.0010748] | Pa×s | [598.68; 811.74] |
|
| η | 0.0010748 | Pa×s | 598.68 | Joback Calculated Property |
| η | 0.0008850 | Pa×s | 634.19 | Joback Calculated Property |
| η | 0.0007439 | Pa×s | 669.70 | Joback Calculated Property |
| η | 0.0006363 | Pa×s | 705.21 | Joback Calculated Property |
| η | 0.0005525 | Pa×s | 740.72 | Joback Calculated Property |
| η | 0.0004860 | Pa×s | 776.23 | Joback Calculated Property |
| η | 0.0004323 | Pa×s | 811.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,7-tribromo-dibenzo-dioxin.
Sources
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