- InChI
- InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
- InChI Key
- VAHKBZSAUKPEOV-UHFFFAOYSA-N
- Formula
- C12H7Cl3
- SMILES
- Clc1ccc(-c2cc(Cl)ccc2Cl)cc1
- Molecular Weight1
- 257.54
- CAS
- 16606-02-3
- Other Names
-
- 1,4-dichloro-2-(4-chlorophenyl)benzene
- 2,4',5-PCB
- 2,4',5-Trichloro-1,1'-biphenyl
- 2,4',5-Trichlorobiphenyl
- 2,5,4'-Trichlorobiphenyl
- 4,2',5'-Trichlorobiphenyl
- Biphenyl, 2,4',5-trichloro-
- Delor 103
- PCB 31
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4634 | Relay (1.0) Calculated Property | |
| ΔfG° | 210.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | [-6.25; -6.25] |
|
|
| log10WS | -6.25 | Aq. Solubility Prediction | |
| log10WS | -6.25 | Estimated Solubility | |
| logPoct/wat | 5.314 | Crippen Calculated Property | |
| McVol | 169.140 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | [1818.00; 1868.00] |
|
|
| Inp | 1846.00 | NIST | |
| Inp | 1819.00 | NIST | |
| Inp | 1820.00 | NIST | |
| Inp | 1839.20 | NIST | |
| Inp | 1848.80 | NIST | |
| Inp | 1858.00 | NIST | |
| Inp | 1858.10 | NIST | |
| Inp | 1829.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Inp | 1819.00 | NIST | |
| Inp | 1867.00 | NIST | |
| Inp | 1868.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Tboil | 604.89 | K | Relay (1.0) Calculated Property |
| Tc | 849.48 | K | Relay (1.0) Calculated Property |
| Tfus | 336.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.20; 405.36] | J/mol×K | [654.55; 917.95] |
|
| Cp,gas | 349.20 | J/mol×K | 654.55 | Joback Calculated Property |
| Cp,gas | 360.92 | J/mol×K | 698.45 | Joback Calculated Property |
| Cp,gas | 371.61 | J/mol×K | 742.35 | Joback Calculated Property |
| Cp,gas | 381.33 | J/mol×K | 786.25 | Joback Calculated Property |
| Cp,gas | 390.14 | J/mol×K | 830.15 | Joback Calculated Property |
| Cp,gas | 398.13 | J/mol×K | 874.05 | Joback Calculated Property |
| Cp,gas | 405.36 | J/mol×K | 917.95 | Joback Calculated Property |
| η | [0.0001852; 0.0010725] | Pa×s | [405.16; 654.55] |
|
| η | 0.0010725 | Pa×s | 405.16 | Joback Calculated Property |
| η | 0.0006985 | Pa×s | 446.73 | Joback Calculated Property |
| η | 0.0004893 | Pa×s | 488.29 | Joback Calculated Property |
| η | 0.0003625 | Pa×s | 529.86 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 571.42 | Joback Calculated Property |
| η | 0.0002248 | Pa×s | 612.99 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 654.55 | Joback Calculated Property |
| ΔvapH | 77.70 | kJ/mol | 370.50 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,4',5-trichloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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