- InChI
- InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
- InChI Key
- KTXUOWUHFLBZPW-UHFFFAOYSA-N
- Formula
- C12H8Cl2
- SMILES
- Clc1cccc(-c2cccc(Cl)c2)c1
- Molecular Weight1
- 223.10
- CAS
- 2050-67-1
- Other Names
-
- 1-chloro-3-(3-chlorophenyl)benzene
- 3,3'-Dichlorobiphenyl
- 3,3'-Dichlorodiphenyl
- Biphenyl, 3,3'-dichloro-
- PCB 11
- m,m'-Dichlorobiphenyl
- 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 | 0.4221 | Relay (1.0) Calculated Property | |
| ΔfG° | 231.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 129.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.00 ± 0.20 | kJ/mol | NIST |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.80 | Aq. Solubility Prediction | |
| logPoct/wat | 4.660 | Crippen Calculated Property | |
| McVol | 156.900 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [1725.00; 1772.00] |
|
|
| Inp | 1756.00 | NIST | |
| Inp | 1725.40 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1769.00 | NIST | |
| Inp | 1772.00 | NIST | |
| Inp | 1725.40 | NIST | |
| Inp | 1769.00 | NIST | |
| Tboil | 583.43 | K | Relay (1.0) Calculated Property |
| Tc | 819.34 | K | Relay (1.0) Calculated Property |
| Tfus | 302.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 75.40 | kJ/mol | 368.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.44; 411.83] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.14500e+01 | |||
| Coefficient B | 8.80600e-01 | |||
| Coefficient C | -5.98120e-04 | |||
| Coefficient D | 1.50800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 294.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 322.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 347.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 367.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 385.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 399.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 411.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036705; 0.0001978] | Pa×s | [302.15; 610.52] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13904e+01 | |||
| Coefficient B | 1.74732e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 302.15 | |||
| Temperature range, max. | 610.52 | |||
| η | 0.0036705 | Pa×s | 302.15 | Calculated Property |
| η | 0.0020367 | Pa×s | 336.41 | Calculated Property |
| η | 0.0012602 | Pa×s | 370.68 | Calculated Property |
| η | 0.0008457 | Pa×s | 404.94 | Calculated Property |
| η | 0.0006040 | Pa×s | 439.20 | Calculated Property |
| η | 0.0004529 | Pa×s | 473.47 | Calculated Property |
| η | 0.0003530 | Pa×s | 507.73 | Calculated Property |
| η | 0.0002840 | Pa×s | 541.99 | Calculated Property |
| η | 0.0002345 | Pa×s | 576.26 | Calculated Property |
| η | 0.0001978 | Pa×s | 610.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3,3'-dichloro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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