- InChI
- InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
- InChI Key
- NMWSKOLWZZWHPL-UHFFFAOYSA-N
- Formula
- C12H9Cl
- SMILES
- Clc1cccc(-c2ccccc2)c1
- Molecular Weight1
- 188.66
- Other Names
-
- 1,1'-Biphenyl, 3-monochloro-
- 1-chloro-3-phenylbenzene
- 3-Chloro-1,1'-biphenyl
- 3-Chlorobiphenyl
- 3-Chlorodiphenyl
- 3-Monochlorobiphenyl
- Biphenyl, 3-chloro-
- PCB 2
- m-Chlorobiphenyl
- m-Chlorodiphenyl
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid 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).
- 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 | 0.3669 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6045.96 | kJ/mol | NIST |
| ΔfG° | 253.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 166.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.30 ± 1.10 | kJ/mol | NIST |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.88; -4.88] |
|
|
| log10WS | -4.88 | Aq. Solubility Prediction | |
| log10WS | -4.88 | Estimated Solubility | |
| logPoct/wat | 4.007 | Crippen Calculated Property | |
| McVol | 144.660 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Inp | [1535.00; 1575.70] |
|
|
| Inp | 1575.00 | NIST | |
| Inp | 1567.10 | NIST | |
| Inp | 1571.40 | NIST | |
| Inp | 1575.70 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Tboil | 557.70 | K | NIST |
| Tc | 800.72 | K | Relay (1.0) Calculated Property |
| Tfus | 290.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [66.00; 69.20] | kJ/mol | [334.50; 494.00] |
|
| ΔvapH | 66.20 | kJ/mol | 334.50 | NIST |
| ΔvapH | 66.60 | kJ/mol | 368.00 | NIST |
| ΔvapH | 69.20 | kJ/mol | 371.50 | NIST |
| ΔvapH | 66.00 | kJ/mol | 494.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.49; 406.60] | 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 | -4.86400e+01 | |||
| Coefficient B | 9.33300e-01 | |||
| Coefficient C | -6.44760e-04 | |||
| Coefficient D | 1.66700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 248.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 283.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 313.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 360.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 378.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 393.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 406.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031836; 0.0001952] | Pa×s | [290.15; 577.71] |
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 | -1.13581e+01 | |||
| Coefficient B | 1.62726e+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. | 290.15 | |||
| Temperature range, max. | 577.71 | |||
| η | 0.0031836 | Pa×s | 290.15 | Calculated Property |
| η | 0.0018252 | Pa×s | 322.10 | Calculated Property |
| η | 0.0011569 | Pa×s | 354.05 | Calculated Property |
| η | 0.0007908 | Pa×s | 386.00 | Calculated Property |
| η | 0.0005730 | Pa×s | 417.96 | Calculated Property |
| η | 0.0004346 | Pa×s | 449.91 | Calculated Property |
| η | 0.0003419 | Pa×s | 481.86 | Calculated Property |
| η | 0.0002771 | Pa×s | 513.81 | Calculated Property |
| η | 0.0002302 | Pa×s | 545.76 | Calculated Property |
| η | 0.0001952 | Pa×s | 577.71 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3-chloro-.
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
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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