- InChI
- InChI=1S/C12H6Cl4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H
- InChI Key
- SFTUSTXGTCCSHX-UHFFFAOYSA-N
- Formula
- C12H6Cl4
- SMILES
-
Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c
1 - Molecular Weight1
- 291.99
- CAS
- 41464-41-9
- Other Names
-
- 1,4-dichloro-2-(2,6-dichlorophenyl)benzene
- 2,2',5,6'-Tetrachlorobiphenyl
- PCB 53
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 188.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 73.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.90 ± 0.60 | kJ/mol | NIST |
| log10WS | -6.80 | Aq. Sol... | |
| logPoct/wat | 5.967 | Crippen Calculated Property | |
| McVol | 181.380 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Inp | [1839.00; 1895.00] |
|
|
| Inp | 1895.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Tboil | 696.96 | K | Joback Calculated Property |
| Tc | 963.35 | K | Joback Calculated Property |
| Tfus | 447.60 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.27; 417.60] | J/mol×K | [696.96; 963.35] |
|
| Cp,gas | 368.27 | J/mol×K | 696.96 | Joback Calculated Property |
| Cp,gas | 378.65 | J/mol×K | 741.36 | Joback Calculated Property |
| Cp,gas | 388.08 | J/mol×K | 785.76 | Joback Calculated Property |
| Cp,gas | 396.63 | J/mol×K | 830.15 | Joback Calculated Property |
| Cp,gas | 404.36 | J/mol×K | 874.55 | Joback Calculated Property |
| Cp,gas | 411.33 | J/mol×K | 918.95 | Joback Calculated Property |
| Cp,gas | 417.60 | J/mol×K | 963.35 | Joback Calculated Property |
| η | [0.0001717; 0.0008409] | Pa×s | [447.60; 696.96] |
|
| η | 0.0008409 | Pa×s | 447.60 | Joback Calculated Property |
| η | 0.0005766 | Pa×s | 489.16 | Joback Calculated Property |
| η | 0.0004195 | Pa×s | 530.72 | Joback Calculated Property |
| η | 0.0003196 | Pa×s | 572.28 | Joback Calculated Property |
| η | 0.0002526 | Pa×s | 613.84 | Joback Calculated Property |
| η | 0.0002057 | Pa×s | 655.40 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 696.96 | Joback Calculated Property |
| ΔvapH | 78.80 | kJ/mol | 370.50 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,2',5,6'-Tetrachloro-.
Sources
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