- InChI
- InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
- InChI Key
- YTBRNEUEFCNVHC-UHFFFAOYSA-N
- Formula
- C12H8Cl2
- SMILES
- Clc1ccc(-c2ccc(Cl)cc2)cc1
- Molecular Weight1
- 223.10
- CAS
- 2050-68-2
- Other Names
-
- 1-chloro-4-(4-chlorophenyl)benzene
- 4,4'-Dichloro-1,1'-biphenyl
- 4,4'-Dichlorobiphenyl
- 4,4'-PCB
- Biphenyl, 4,4'-dichloro-
- PCB 15
- p,p'-Dichlorobiphenyl
- p,p-DCBP
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-5927.10; -5813.54] | kJ/mol |
|
| ΔcH°solid | -5927.10 ± 0.63 | kJ/mol | NIST |
| ΔcH°solid | -5813.54 | kJ/mol | NIST |
| ΔfG° | 231.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 120.00 | kJ/mol | NIST |
| ΔfH°solid | 16.50 | kJ/mol | NIST |
| ΔfusH° | 22.53 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [91.20; 104.00] | kJ/mol |
|
| ΔsubH° | 104.00 ± 4.20 | kJ/mol | NIST |
| ΔsubH° | 103.80 ± 4.20 | kJ/mol | NIST |
| ΔsubH° | 91.20 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 81.40 ± 0.30 | kJ/mol | NIST |
| log10WS | [-6.56; -6.56] |
|
|
| log10WS | -6.56 | Aq. Sol... | |
| log10WS | -6.56 | Estimat... | |
| logPoct/wat | 4.660 | Crippen Calculated Property | |
| McVol | 156.900 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [1735.00; 1792.00] |
|
|
| Inp | 1775.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Inp | 1762.90 | NIST | |
| Inp | 1772.30 | NIST | |
| Inp | 1781.80 | NIST | |
| Inp | 1781.80 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1788.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Inp | 1788.00 | NIST | |
| Tboil | 590.20 | K | NIST |
| Tc | 871.88 | K | Joback Calculated Property |
| Tfus | [420.00; 422.50] | K |
|
| Tfus | 422.25 | K | Aq. Sol... |
| Tfus | 422.50 ± 2.00 | K | NIST |
| Tfus | 420.00 ± 3.00 | K | NIST |
| Vc | 0.590 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.07; 391.60] | J/mol×K | [612.14; 871.88] |
|
| Cp,gas | 328.07 | J/mol×K | 612.14 | Joback Calculated Property |
| Cp,gas | 341.24 | J/mol×K | 655.43 | Joback Calculated Property |
| Cp,gas | 353.28 | J/mol×K | 698.72 | Joback Calculated Property |
| Cp,gas | 364.26 | J/mol×K | 742.01 | Joback Calculated Property |
| Cp,gas | 374.26 | J/mol×K | 785.30 | Joback Calculated Property |
| Cp,gas | 383.35 | J/mol×K | 828.59 | Joback Calculated Property |
| Cp,gas | 391.60 | J/mol×K | 871.88 | Joback Calculated Property |
| η | [0.0001963; 0.0013975] | Pa×s | [362.72; 612.14] |
|
| η | 0.0013975 | Pa×s | 362.72 | Joback Calculated Property |
| η | 0.0008516 | Pa×s | 404.29 | Joback Calculated Property |
| η | 0.0005691 | Pa×s | 445.86 | Joback Calculated Property |
| η | 0.0004074 | Pa×s | 487.43 | Joback Calculated Property |
| η | 0.0003074 | Pa×s | 529.00 | Joback Calculated Property |
| η | 0.0002417 | Pa×s | 570.57 | Joback Calculated Property |
| η | 0.0001963 | Pa×s | 612.14 | Joback Calculated Property |
| ΔsubH | [91.40; 103.70] | kJ/mol | [283.00; 331.50] |
|
| ΔsubH | 95.30 ± 1.30 | kJ/mol | 283.00 | NIST |
| ΔsubH | 91.40 | kJ/mol | 306.00 | NIST |
| ΔsubH | 103.70 | kJ/mol | 331.50 | NIST |
| ΔvapH | 76.00 | kJ/mol | 368.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 4,4'-dichloro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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