- InChI
- InChI=1S/C12H4BrCl3O2/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
- MEDUBLZGNFZMKG-UHFFFAOYSA-N
- Formula
- C12H4BrCl3O2
- SMILES
-
Clc1cc2c(cc1Cl)Oc1cc(Br)c(Cl)c
c1O2 - Molecular Weight1
- 366.42
- 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 | 0.6314 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.307 | Crippen Calculated Property | |
| McVol | 187.520 | ml/mol | McGowan Calculated Property |
| Pc | 3380.21 | kPa | Joback Calculated Property |
| Inp | 2465.00 | NIST | |
| Tboil | 643.29 | K | Relay (1.0) Calculated Property |
| Tc | 968.49 | K | Relay (1.0) Calculated Property |
| Tfus | 453.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.46; 437.37] | J/mol×K | [796.69; 1071.66] | 
|
| Cp,gas | 396.46 | J/mol×K | 796.69 | Joback Calculated Property |
| Cp,gas | 404.13 | J/mol×K | 842.52 | Joback Calculated Property |
| Cp,gas | 411.28 | J/mol×K | 888.35 | Joback Calculated Property |
| Cp,gas | 418.04 | J/mol×K | 934.17 | Joback Calculated Property |
| Cp,gas | 424.55 | J/mol×K | 980.00 | Joback Calculated Property |
| Cp,gas | 430.95 | J/mol×K | 1025.83 | Joback Calculated Property |
| Cp,gas | 437.37 | J/mol×K | 1071.66 | Joback Calculated Property |
| η | [0.0004427; 0.0011065] | Pa×s | [581.36; 796.69] |
|
| η | 0.0011065 | Pa×s | 581.36 | Joback Calculated Property |
| η | 0.0009086 | Pa×s | 617.25 | Joback Calculated Property |
| η | 0.0007624 | Pa×s | 653.14 | Joback Calculated Property |
| η | 0.0006515 | Pa×s | 689.03 | Joback Calculated Property |
| η | 0.0005655 | Pa×s | 724.91 | Joback Calculated Property |
| η | 0.0004974 | Pa×s | 760.80 | Joback Calculated Property |
| η | 0.0004427 | Pa×s | 796.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-bromo,3,7,8-trichloro-dibenzo-dioxin.
Sources
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