- InChI
- InChI=1S/C12H8Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H
- InChI Key
- XOMKZKJEJBZBJJ-UHFFFAOYSA-N
- Formula
- C12H8Cl2
- SMILES
- Clc1cccc(-c2ccccc2)c1Cl
- Molecular Weight1
- 223.10
- CAS
- 16605-91-7
- Other Names
-
- Biphenyl, 2,3-dichloro-
- 2,3-Dichloro-1,1'-biphenyl
- 2,3-Dichlorobiphenyl
- PCB 5
- 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).
- 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 | 0.4009 | Relay (1.0) Calculated Property | |
| ΔfG° | 231.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 142.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.660 | Crippen Calculated Property | |
| McVol | 156.900 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [1654.00; 1731.00] |
|
|
| Inp | 1730.00 | NIST | |
| Inp | 1704.90 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Inp | 1685.30 | NIST | |
| Inp | 1694.80 | NIST | |
| Inp | 1704.90 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Tboil | 584.17 | K | Relay (1.0) Calculated Property |
| Tc | 841.55 | K | Relay (1.0) Calculated Property |
| Tfus | 298.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.576 | m3/kmol | Relay (1.0) Calculated Property |
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 | [0.0013975; 0.0001978] | Pa×s | [362.72; 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. | 362.72 | |||
| Temperature range, max. | 610.52 | |||
| η | 0.0013975 | Pa×s | 362.72 | Calculated Property |
| η | 0.0009948 | Pa×s | 390.25 | Calculated Property |
| η | 0.0007406 | Pa×s | 417.79 | Calculated Property |
| η | 0.0005719 | Pa×s | 445.32 | Calculated Property |
| η | 0.0004551 | Pa×s | 472.85 | Calculated Property |
| η | 0.0003713 | Pa×s | 500.39 | Calculated Property |
| η | 0.0003095 | Pa×s | 527.92 | Calculated Property |
| η | 0.0002627 | Pa×s | 555.45 | Calculated Property |
| η | 0.0002264 | Pa×s | 582.99 | Calculated Property |
| η | 0.0001978 | Pa×s | 610.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,3-dichloro-.
Sources
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