- InChI
- InChI=1S/C12H2Cl8/c13-3-1-4(7(15)5(14)2-3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
- InChI Key
- PJHBSPRZHUOIAS-UHFFFAOYSA-N
- Formula
- C12H2Cl8
- SMILES
-
Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)
c(Cl)c(Cl)c2Cl)c1 - Molecular Weight1
- 429.77
- CAS
- 68194-17-2
- Other Names
-
- 2,2',3,3',4,5,5',6-Octachloro-1,1'-biphenyl
- 2,2',3,3',4,5,5',6-Octachlorobiphenyl
- PCB 198
- 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 | 0.6372 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 43.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.581 | Crippen Calculated Property | |
| McVol | 230.340 | ml/mol | McGowan Calculated Property |
| Pc | 2216.62 | kPa | Joback Calculated Property |
| Inp | 2523.00 | NIST | |
| Tboil | 668.36 | K | Relay (1.0) Calculated Property |
| Tc | 987.41 | K | Relay (1.0) Calculated Property |
| Tfus | 432.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.824 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.83; 453.59] | J/mol×K | [866.60; 1140.81] | 
|
| Cp,gas | 427.83 | J/mol×K | 866.60 | Joback Calculated Property |
| Cp,gas | 433.76 | J/mol×K | 912.30 | Joback Calculated Property |
| Cp,gas | 438.99 | J/mol×K | 958.00 | Joback Calculated Property |
| Cp,gas | 443.56 | J/mol×K | 1003.70 | Joback Calculated Property |
| Cp,gas | 447.49 | J/mol×K | 1049.40 | Joback Calculated Property |
| Cp,gas | 450.83 | J/mol×K | 1095.11 | Joback Calculated Property |
| Cp,gas | 453.59 | J/mol×K | 1140.81 | Joback Calculated Property |
| η | [0.0001131; 0.0003571] | Pa×s | [617.36; 866.60] |
|
| η | 0.0003571 | Pa×s | 617.36 | Joback Calculated Property |
| η | 0.0002775 | Pa×s | 658.90 | Joback Calculated Property |
| η | 0.0002223 | Pa×s | 700.44 | Joback Calculated Property |
| η | 0.0001825 | Pa×s | 741.98 | Joback Calculated Property |
| η | 0.0001530 | Pa×s | 783.52 | Joback Calculated Property |
| η | 0.0001305 | Pa×s | 825.06 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 866.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,2',3,3',4,5,5',6-Octachloro-.
Sources
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