- InChI
- InChI=1S/C12BrCl7O2/c13-1-2(14)3(15)6(18)10-9(1)21-11-7(19)4(16)5(17)8(20)12(11)22-10
- InChI Key
- ZSYUWOAGYRQXHH-UHFFFAOYSA-N
- Formula
- C12BrCl7O2
- SMILES
-
Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl
)c(Cl)c(Cl)c(Br)c1O2 - Molecular Weight1
- 504.20
- 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° | 17.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.68 | kJ/mol | Joback Calculated Property |
| log10WS | -8.95 | Crippen Calculated Property | |
| logPoct/wat | 8.921 | Crippen Calculated Property | |
| McVol | 236.480 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Inp | [3230.00; 3230.00] |
|
|
| Inp | 3230.00 | NIST | |
| Inp | 3230.00 | NIST | |
| Tboil | 966.33 | K | Joback Calculated Property |
| Tc | 1246.90 | K | Joback Calculated Property |
| Tfus | 751.12 | K | Joback Calculated Property |
| Vc | 0.904 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.50; 477.22] | J/mol×K | [966.33; 1246.90] |
|
| Cp,gas | 444.50 | J/mol×K | 966.33 | Joback Calculated Property |
| Cp,gas | 449.72 | J/mol×K | 1013.09 | Joback Calculated Property |
| Cp,gas | 454.89 | J/mol×K | 1059.85 | Joback Calculated Property |
| Cp,gas | 460.13 | J/mol×K | 1106.61 | Joback Calculated Property |
| Cp,gas | 465.52 | J/mol×K | 1153.38 | Joback Calculated Property |
| Cp,gas | 471.18 | J/mol×K | 1200.14 | Joback Calculated Property |
| Cp,gas | 477.22 | J/mol×K | 1246.90 | Joback Calculated Property |
| η | [0.0002914; 0.0006027] | Pa×s | [751.12; 966.33] |
|
| η | 0.0006027 | Pa×s | 751.12 | Joback Calculated Property |
| η | 0.0005194 | Pa×s | 786.99 | Joback Calculated Property |
| η | 0.0004535 | Pa×s | 822.86 | Joback Calculated Property |
| η | 0.0004004 | Pa×s | 858.73 | Joback Calculated Property |
| η | 0.0003571 | Pa×s | 894.59 | Joback Calculated Property |
| η | 0.0003213 | Pa×s | 930.46 | Joback Calculated Property |
| η | 0.0002914 | Pa×s | 966.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-bromo,2,3,4,6,7,8,9-heptachloro-dibenzo-dioxin.
Sources
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