- InChI
- InChI=1S/C12H4Br3ClO2/c13-5-1-7(15)11-9(3-5)17-10-4-6(14)2-8(16)12(10)18-11/h1-4H
- InChI Key
- PPVLBMUFMMZHIS-UHFFFAOYSA-N
- Formula
- C12H4Br3ClO2
- SMILES
-
Clc1cc(Br)cc2c1Oc1c(Br)cc(Br)c
c1O2 - Molecular Weight1
- 455.32
- 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° | 156.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 11.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.59 | kJ/mol | Joback Calculated Property |
| log10WS | -7.16 | Crippen Calculated Property | |
| logPoct/wat | 6.526 | Crippen Calculated Property | |
| McVol | 198.040 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Inp | [2608.00; 2608.00] |
|
|
| Inp | 2608.00 | NIST | |
| Inp | 2608.00 | NIST | |
| Tboil | 854.15 | K | Joback Calculated Property |
| Tc | 1144.33 | K | Joback Calculated Property |
| Tfus | 641.12 | K | Joback Calculated Property |
| Vc | 0.735 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.09; 452.05] | J/mol×K | [854.15; 1144.33] |
|
| Cp,gas | 407.09 | J/mol×K | 854.15 | Joback Calculated Property |
| Cp,gas | 414.50 | J/mol×K | 902.51 | Joback Calculated Property |
| Cp,gas | 421.68 | J/mol×K | 950.88 | Joback Calculated Property |
| Cp,gas | 428.84 | J/mol×K | 999.24 | Joback Calculated Property |
| Cp,gas | 436.15 | J/mol×K | 1047.60 | Joback Calculated Property |
| Cp,gas | 443.83 | J/mol×K | 1095.96 | Joback Calculated Property |
| Cp,gas | 452.05 | J/mol×K | 1144.33 | Joback Calculated Property |
| η | [0.0003881; 0.0009125] | Pa×s | [641.12; 854.15] |
|
| η | 0.0009125 | Pa×s | 641.12 | Joback Calculated Property |
| η | 0.0007623 | Pa×s | 676.62 | Joback Calculated Property |
| η | 0.0006483 | Pa×s | 712.13 | Joback Calculated Property |
| η | 0.0005599 | Pa×s | 747.63 | Joback Calculated Property |
| η | 0.0004901 | Pa×s | 783.14 | Joback Calculated Property |
| η | 0.0004339 | Pa×s | 818.64 | Joback Calculated Property |
| η | 0.0003881 | Pa×s | 854.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzodioxin, 1,3,7-tribromo-, 9-chloro-.
Sources
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