- InChI
- InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
- InChI Key
- FPWNLURCHDRMHC-UHFFFAOYSA-N
- Formula
- C12H9Cl
- SMILES
- Clc1ccc(-c2ccccc2)cc1
- Molecular Weight1
- 188.65
- CAS
- 2051-62-9
- Other Names
-
- 1-Chloro-4-phenylbenzene
- 4-Chloro-1,1'-biphenyl
- 4-Chlorobiphenyl
- 4-Chlorodiphenyl
- Biphenyl, 4-chloro-
- PCB 3
- p-Chlorobiphenyl
- p-Chlorodiphenyl
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.3710 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6040.06 | kJ/mol | NIST |
| ΔfG° | 253.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 166.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.60 ± 0.70 | kJ/mol | NIST |
| IE | 8.10 ± 0.02 | eV | NIST |
| log10WS | -5.18 | Aq. Solubility Prediction | |
| logPoct/wat | 4.007 | Crippen Calculated Property | |
| McVol | 144.660 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Inp | [1542.00; 1586.00] |
|
|
| Inp | 1586.00 | NIST | |
| Inp | 1586.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1564.00 | NIST | |
| S°solid,1 bar | [256.90; 256.90] | J/mol×K |
|
| S°solid,1 bar | 256.90 | J/mol×K | NIST |
| S°solid,1 bar | 256.90 | J/mol×K | NIST |
| Tboil | [555.00; 564.20] | K |
|
| Tboil | 564.20 | K | NIST |
| Tboil | 555.00 | K | NIST |
| Tc | 797.26 | K | Relay (1.0) Calculated Property |
| Tfus | 351.42 | K | Aq. Solubility Prediction |
| Ttriple | [347.90; 348.55] | K |
|
| Ttriple | 348.55 ± 0.02 | K | NIST |
| Ttriple | 348.55 ± 0.02 | K | NIST |
| Ttriple | 347.90 ± 0.10 | K | NIST |
| Ttriple | 348.55 ± 0.02 | K | NIST |
| Ttriple | 348.55 ± 0.02 | K | NIST |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [272.80; 276.60] | J/mol×K | [350.00; 370.00] |
|
| Cp,liquid | 272.80 | J/mol×K | 350.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 274.70 | J/mol×K | 360.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 276.60 | J/mol×K | 370.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,solid | [243.76; 243.80] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 243.76 | J/mol×K | 298.15 | NIST |
| Cp,solid | 243.80 | J/mol×K | 298.15 | NIST |
| ΔfusH | [13.32; 13.32] | kJ/mol | [348.55; 348.60] |
|
| ΔfusH | 13.32 | kJ/mol | 348.55 | NIST |
| ΔfusH | 13.32 | kJ/mol | 348.55 | NIST |
| ΔfusH | 13.32 | kJ/mol | 348.55 | NIST |
| ΔfusH | 13.32 | kJ/mol | 348.55 | NIST |
| ΔfusH | 13.32 | kJ/mol | 348.60 | NIST |
| ΔfusH | 13.32 | kJ/mol | 348.60 | NIST |
| ΔsubH | [73.70; 86.00] | kJ/mol | [278.00; 326.00] |
|
| ΔsubH | 86.00 ± 0.90 | kJ/mol | 278.00 | NIST |
| ΔsubH | 73.70 ± 0.70 | kJ/mol | 326.00 | NIST |
| ΔvapH | [59.00; 67.80] | kJ/mol | [368.00; 493.50] |
|
| ΔvapH | 66.80 | kJ/mol | 368.00 | NIST |
| ΔvapH | 67.80 | kJ/mol | 378.50 | NIST |
| ΔvapH | 59.00 | kJ/mol | 467.50 | NIST |
| ΔvapH | 65.90 | kJ/mol | 493.50 | NIST |
| ΔfusS | [38.21; 38.21] | J/mol×K | [348.55; 348.55] |
|
| ΔfusS | 38.21 | J/mol×K | 348.55 | NIST |
| ΔfusS | 38.21 | J/mol×K | 348.55 | NIST |
| ΔfusS | 38.21 | J/mol×K | 348.55 | NIST |
| ΔfusS | 38.21 | J/mol×K | 348.55 | 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 | [0.0011975; 0.0001952] | Pa×s | [351.42; 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. | 351.42 | |||
| Temperature range, max. | 577.71 | |||
| η | 0.0011975 | Pa×s | 351.42 | Calculated Property |
| η | 0.0008790 | Pa×s | 376.56 | Calculated Property |
| η | 0.0006707 | Pa×s | 401.71 | Calculated Property |
| η | 0.0005283 | Pa×s | 426.85 | Calculated Property |
| η | 0.0004274 | Pa×s | 452.00 | Calculated Property |
| η | 0.0003535 | Pa×s | 477.14 | Calculated Property |
| η | 0.0002980 | Pa×s | 502.28 | Calculated Property |
| η | 0.0002554 | Pa×s | 527.43 | Calculated Property |
| η | 0.0002219 | Pa×s | 552.57 | Calculated Property |
| η | 0.0001952 | Pa×s | 577.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 101.28] | kPa | [369.60; 566.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62965e+01 | |||
| Coefficient B | -6.33797e+03 | |||
| Coefficient C | -2.34040e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 369.60 | |||
| Temperature range, max. | 566.10 | |||
| Pvap | 0.13 | kPa | 369.60 | Calculated Property |
| Pvap | 0.40 | kPa | 391.43 | Calculated Property |
| Pvap | 1.04 | kPa | 413.27 | Calculated Property |
| Pvap | 2.46 | kPa | 435.10 | Calculated Property |
| Pvap | 5.35 | kPa | 456.93 | Calculated Property |
| Pvap | 10.78 | kPa | 478.77 | Calculated Property |
| Pvap | 20.39 | kPa | 500.60 | Calculated Property |
| Pvap | 36.45 | kPa | 522.43 | Calculated Property |
| Pvap | 62.07 | kPa | 544.27 | Calculated Property |
| Pvap | 101.28 | kPa | 566.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 4-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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