- InChI
- InChI=1S/C12H3Br3Cl2O2/c13-4-1-5(14)11-12(10(4)15)19-9-3-7(17)6(16)2-8(9)18-11/h1-3H
- InChI Key
- KHCXILULIIZTJO-UHFFFAOYSA-N
- Formula
- C12H3Br3Cl2O2
- SMILES
-
Clc1cc2c(cc1Cl)Oc1c(Br)c(Br)cc
(Br)c1O2 - Molecular Weight1
- 489.77
- 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 | 0.6677 | Relay (... Calculated Property | |
| ΔfG° | 134.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -9.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.91 | kJ/mol | Relay (... Calculated Property |
| IE | 7.98 | eV | Relay (... Calculated Property |
| log10WS | -10.70 | Relay (... Calculated Property | |
| logPoct/wat | 7.179 | Crippen Calculated Property | |
| McVol | 210.280 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Inp | [2848.00; 2848.00] |
|
|
| Inp | 2848.00 | NIST | |
| Inp | 2848.00 | NIST | |
| Tboil | 669.20 | K | Relay (... Calculated Property |
| Tc | 995.43 | K | Relay (... Calculated Property |
| Tfus | 465.29 | K | Relay (... Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.58; 463.77] | J/mol×K | [896.56; 1187.57] |
|
| Cp,gas | 419.58 | J/mol×K | 896.56 | Joback Calculated Property |
| Cp,gas | 426.45 | J/mol×K | 945.06 | Joback Calculated Property |
| Cp,gas | 433.27 | J/mol×K | 993.56 | Joback Calculated Property |
| Cp,gas | 440.23 | J/mol×K | 1042.06 | Joback Calculated Property |
| Cp,gas | 447.51 | J/mol×K | 1090.57 | Joback Calculated Property |
| Cp,gas | 455.30 | J/mol×K | 1139.07 | Joback Calculated Property |
| Cp,gas | 463.77 | J/mol×K | 1187.57 | Joback Calculated Property |
| η | [0.0003460; 0.0007743] | Pa×s | [683.56; 896.56] |
|
| η | 0.0007743 | Pa×s | 683.56 | Joback Calculated Property |
| η | 0.0006549 | Pa×s | 719.06 | Joback Calculated Property |
| η | 0.0005628 | Pa×s | 754.56 | Joback Calculated Property |
| η | 0.0004902 | Pa×s | 790.06 | Joback Calculated Property |
| η | 0.0004321 | Pa×s | 825.56 | Joback Calculated Property |
| η | 0.0003849 | Pa×s | 861.06 | Joback Calculated Property |
| η | 0.0003460 | Pa×s | 896.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzodioxin, 1,2,4-tribromo-, 7,8-dichloro-.
Sources
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