- 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).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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 | 796.45 | 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 | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.63; 376.10] | J/mol×K | [569.73; 825.02] |
|
| Cp,gas | 304.63 | J/mol×K | 569.73 | Joback Calculated Property |
| Cp,gas | 319.35 | J/mol×K | 612.28 | Joback Calculated Property |
| Cp,gas | 332.84 | J/mol×K | 654.83 | Joback Calculated Property |
| Cp,gas | 345.19 | J/mol×K | 697.37 | Joback Calculated Property |
| Cp,gas | 356.46 | J/mol×K | 739.92 | Joback Calculated Property |
| Cp,gas | 366.74 | J/mol×K | 782.47 | Joback Calculated Property |
| Cp,gas | 376.10 | J/mol×K | 825.02 | Joback Calculated Property |
| 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 |
| η | [0.0002031; 0.0018784] | Pa×s | [320.28; 569.73] |
|
| η | 0.0018784 | Pa×s | 320.28 | Joback Calculated Property |
| η | 0.0010478 | Pa×s | 361.86 | Joback Calculated Property |
| η | 0.0006592 | Pa×s | 403.43 | Joback Calculated Property |
| η | 0.0004522 | Pa×s | 445.00 | Joback Calculated Property |
| η | 0.0003309 | Pa×s | 486.58 | Joback Calculated Property |
| η | 0.0002543 | Pa×s | 528.15 | Joback Calculated Property |
| η | 0.0002031 | Pa×s | 569.73 | Joback Calculated Property |
| 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 |
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.