- InChI
- InChI=1S/C12H6Cl4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6H
- InChI Key
- VTLYHLREPCPDKX-UHFFFAOYSA-N
- Formula
- C12H6Cl4
- SMILES
- Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl
- Molecular Weight1
- 291.99
- CAS
- 38444-93-8
- Other Names
-
- 1,2-dichloro-3-(2,3-dichlorophenyl)benzene
- 2,2',3,3'-PCB
- 2,2',3,3'-Tetrachlorobiphenyl
- PCB 40
- 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 | 0.4908 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | [-7.28; -7.28] |
|
|
| log10WS | -7.28 | Aq. Solubility Prediction | |
| log10WS | -7.28 | Estimated Solubility | |
| logPoct/wat | 5.967 | Crippen Calculated Property | |
| McVol | 181.380 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Inp | [1948.00; 2008.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 1948.00 | NIST | |
| Inp | 1948.00 | NIST | |
| Inp | 1970.20 | NIST | |
| Inp | 1981.40 | NIST | |
| Inp | 1993.00 | NIST | |
| Inp | 1992.70 | NIST | |
| Inp | 2000.00 | NIST | |
| Inp | 2000.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 2000.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 1993.00 | NIST | |
| Tboil | 617.86 | K | Relay (1.0) Calculated Property |
| Tc | 889.55 | K | Relay (1.0) Calculated Property |
| Tfus | 378.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) 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 | 81.80 | kJ/mol | 370.50 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,2',3,3'-tetrachloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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