- InChI
- InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
- InChI Key
- BTOCFTAWZMMTNB-UHFFFAOYSA-N
- Formula
- C12H4Cl6
- SMILES
-
Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl
)c2Cl)cc1 - Molecular Weight1
- 360.88
- CAS
- 41411-63-6
- Other Names
-
- PCB 166
- 1,1'-Biphenyl, 2,3,4,4',5,6,-hexachloro-
- 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° | 145.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 18.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.14 | kJ/mol | Joback Calculated Property |
| log10WS | -8.18 | Crippen Calculated Property | |
| logPoct/wat | 7.274 | Crippen Calculated Property | |
| McVol | 205.860 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | 2375.00 | NIST | |
| Tboil | 781.78 | K | Joback Calculated Property |
| Tc | 1052.68 | K | Joback Calculated Property |
| Tfus | 532.48 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.07; 438.05] | J/mol×K | [781.78; 1052.68] | 
|
| Cp,gas | 401.07 | J/mol×K | 781.78 | Joback Calculated Property |
| Cp,gas | 409.07 | J/mol×K | 826.93 | Joback Calculated Property |
| Cp,gas | 416.26 | J/mol×K | 872.08 | Joback Calculated Property |
| Cp,gas | 422.71 | J/mol×K | 917.23 | Joback Calculated Property |
| Cp,gas | 428.46 | J/mol×K | 962.38 | Joback Calculated Property |
| Cp,gas | 433.56 | J/mol×K | 1007.53 | Joback Calculated Property |
| Cp,gas | 438.05 | J/mol×K | 1052.68 | Joback Calculated Property |
| η | [0.0001419; 0.0005388] | Pa×s | [532.48; 781.78] |
|
| η | 0.0005388 | Pa×s | 532.48 | Joback Calculated Property |
| η | 0.0003981 | Pa×s | 574.03 | Joback Calculated Property |
| η | 0.0003063 | Pa×s | 615.58 | Joback Calculated Property |
| η | 0.0002437 | Pa×s | 657.13 | Joback Calculated Property |
| η | 0.0001992 | Pa×s | 698.68 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 740.23 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 781.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4,4',5,6-Hexachloro-1,1'-biphenyl.
Sources
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