- InChI
- InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
- InChI Key
- LAXBNTIAOJWAOP-UHFFFAOYSA-N
- Formula
- C12H9Cl
- SMILES
- Clc1ccccc1-c1ccccc1
- Molecular Weight1
- 188.65
- CAS
- 2051-60-7
- Other Names
-
- 1-Chloro-2-phenylbenzene
- 2-Chloro-1,1'-biphenyl
- 2-Chlorobiphenyl
- 2-Chlorodiphenyl
- 2-Monochlorobiphenyl
- Biphenyl, 2-chloro-
- NSC 67354
- PCB 1
- o-Chlorobiphenyl
- o-Chlorodiphenyl
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid 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).
- 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 | 0.3602 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6072.07 | kJ/mol | NIST |
| ΔfG° | 253.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 167.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.10 ± 2.00 | kJ/mol | NIST |
| IE | 8.20 ± 0.02 | eV | NIST |
| log10WS | [-4.54; -4.54] |
|
|
| log10WS | -4.54 | Aq. Solubility Prediction | |
| log10WS | -4.54 | 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 | [1459.00; 1538.00] |
|
|
| Inp | 1508.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1466.00 | NIST | |
| S°solid,1 bar | [254.30; 303.76] | J/mol×K |
|
| S°solid,1 bar | 303.76 | J/mol×K | NIST |
| S°solid,1 bar | 254.30 | J/mol×K | NIST |
| Tboil | 547.20 | K | NIST |
| Tc | 807.75 | K | Relay (1.0) Calculated Property |
| Tfus | 305.30 ± 0.20 | K | NIST |
| Ttriple | [304.94; 304.94] | K |
|
| Ttriple | 304.94 ± 0.02 | K | NIST |
| Ttriple | 304.94 ± 0.02 | K | NIST |
| Ttriple | 304.94 ± 0.02 | K | NIST |
| Ttriple | 304.94 ± 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 | [265.00; 272.40] | J/mol×K | [310.00; 330.00] |
|
| Cp,liquid | 265.00 | J/mol×K | 310.00 | 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 | 268.70 | J/mol×K | 320.00 | 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 | 272.40 | J/mol×K | 330.00 | 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 | [208.03; 211.92] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 211.92 | J/mol×K | 298.15 | NIST |
| Cp,solid | 208.03 | J/mol×K | 298.15 | NIST |
| ΔfusH | [14.52; 14.54] | kJ/mol | [304.90; 304.94] |
|
| ΔfusH | 14.54 | kJ/mol | 304.90 | NIST |
| ΔfusH | 14.54 | kJ/mol | 304.90 | NIST |
| ΔfusH | 14.52 | kJ/mol | 304.94 | NIST |
| ΔfusH | 14.52 | kJ/mol | 304.94 | NIST |
| ΔfusH | 14.52 | kJ/mol | 304.94 | NIST |
| ΔfusH | 14.52 | kJ/mol | 304.94 | NIST |
| ΔvapH | [55.80; 74.50] | kJ/mol | [328.00; 475.00] |
|
| ΔvapH | 74.50 | kJ/mol | 328.00 | NIST |
| ΔvapH | 64.40 | kJ/mol | 368.00 | NIST |
| ΔvapH | 61.10 | kJ/mol | 451.50 | NIST |
| ΔvapH | 57.80 | kJ/mol | 474.50 | NIST |
| ΔvapH | 55.80 | kJ/mol | 475.00 | NIST |
| ΔfusS | [47.61; 47.61] | J/mol×K | [304.94; 304.94] |
|
| ΔfusS | 47.61 | J/mol×K | 304.94 | NIST |
| ΔfusS | 47.61 | J/mol×K | 304.94 | NIST |
| ΔfusS | 47.61 | J/mol×K | 304.94 | NIST |
| ΔfusS | 47.61 | J/mol×K | 304.94 | 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 | [0.0024102; 0.0001952] | Pa×s | [305.30; 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. | 305.30 | |||
| Temperature range, max. | 577.71 | |||
| η | 0.0024102 | Pa×s | 305.30 | Calculated Property |
| η | 0.0014903 | Pa×s | 335.57 | Calculated Property |
| η | 0.0009977 | Pa×s | 365.84 | Calculated Property |
| η | 0.0007102 | Pa×s | 396.10 | Calculated Property |
| η | 0.0005306 | Pa×s | 426.37 | Calculated Property |
| η | 0.0004120 | Pa×s | 456.64 | Calculated Property |
| η | 0.0003301 | Pa×s | 486.91 | Calculated Property |
| η | 0.0002715 | Pa×s | 517.18 | Calculated Property |
| η | 0.0002281 | Pa×s | 547.45 | Calculated Property |
| η | 0.0001952 | Pa×s | 577.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 98.59] | kPa | [362.50; 540.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.72828e+01 | |||
| Coefficient B | -6.62554e+03 | |||
| Coefficient C | -1.86670e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 362.50 | |||
| Temperature range, max. | 540.70 | |||
| Pvap | 0.14 | kPa | 362.50 | Calculated Property |
| Pvap | 0.39 | kPa | 382.30 | Calculated Property |
| Pvap | 1.00 | kPa | 402.10 | Calculated Property |
| Pvap | 2.34 | kPa | 421.90 | Calculated Property |
| Pvap | 5.06 | kPa | 441.70 | Calculated Property |
| Pvap | 10.19 | kPa | 461.50 | Calculated Property |
| Pvap | 19.32 | kPa | 481.30 | Calculated Property |
| Pvap | 34.78 | kPa | 501.10 | Calculated Property |
| Pvap | 59.78 | kPa | 520.90 | Calculated Property |
| Pvap | 98.59 | kPa | 540.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility 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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