- InChI
- InChI=1S/C12H5Cl5/c13-7-3-6(4-8(14)5-7)9-1-2-10(15)12(17)11(9)16/h1-5H
- InChI Key
- MPCDNZSLJWJDNW-UHFFFAOYSA-N
- Formula
- C12H5Cl5
- SMILES
-
Clc1cc(Cl)cc(-c2ccc(Cl)c(Cl)c2
Cl)c1 - Molecular Weight1
- 326.43
- CAS
- 70362-41-3
- Other Names
-
- PCB 108
- 1,1'-Biphenyl, 2,3,3',4,5'-pentachloro
- 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 | 0.5349 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.621 | Crippen Calculated Property | |
| McVol | 193.620 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | [2151.00; 2180.00] |
|
|
| Inp | 2151.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 631.57 | K | Relay (1.0) Calculated Property |
| Tc | 907.95 | K | Relay (1.0) Calculated Property |
| Tfus | 356.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.50; 428.46] | J/mol×K | [739.37; 1008.22] |
|
| Cp,gas | 385.50 | J/mol×K | 739.37 | Joback Calculated Property |
| Cp,gas | 394.64 | J/mol×K | 784.18 | Joback Calculated Property |
| Cp,gas | 402.91 | J/mol×K | 828.99 | Joback Calculated Property |
| Cp,gas | 410.38 | J/mol×K | 873.79 | Joback Calculated Property |
| Cp,gas | 417.08 | J/mol×K | 918.60 | Joback Calculated Property |
| Cp,gas | 423.09 | J/mol×K | 963.41 | Joback Calculated Property |
| Cp,gas | 428.46 | J/mol×K | 1008.22 | Joback Calculated Property |
| η | [0.0001570; 0.0006694] | Pa×s | [490.04; 739.37] |
|
| η | 0.0006694 | Pa×s | 490.04 | Joback Calculated Property |
| η | 0.0004783 | Pa×s | 531.60 | Joback Calculated Property |
| η | 0.0003588 | Pa×s | 573.15 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 614.71 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 656.26 | Joback Calculated Property |
| η | 0.0001860 | Pa×s | 697.82 | Joback Calculated Property |
| η | 0.0001570 | Pa×s | 739.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,3',4,5'-Pentachloro-1,1'-biphenyl.
Sources
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