- 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
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6072.07 | kJ/mol | NIST |
| ΔfG° | 253.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 154.84 | kJ/mol | Joback 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. Sol... | |
| log10WS | -4.54 | Estimat... | |
| 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 | 825.02 | K | Joback 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 |
| Vc | 0.540 | m3/kmol | Joback 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,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 |
| 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 | 361.85 | 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 | [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 |
| 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 |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2-chloro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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