- 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
- 188.65
- CAS
- 2051-61-8
- Other Names
-
- 1,1'-Biphenyl, 3-chloro-
- 1,1'-Biphenyl, 3-monochloro-
- 1-chloro-3-phenylbenzene
- 3-Chloro-1,1'-biphenyl
- 3-Chlorodiphenyl
- 3-Monochlorobiphenyl
- Biphenyl, 3-chloro-
- PCB 2
- m-Chlorobiphenyl
- m-Chlorodiphenyl
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6045.96 | 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° | 74.30 ± 1.10 | kJ/mol | NIST |
| log10WS | [-4.88; -4.88] |
|
|
| log10WS | -4.88 | Aq. Sol... | |
| log10WS | -4.88 | Estimat... | |
| 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 | 825.02 | K | Joback Calculated Property |
| Tfus | 320.28 | K | Joback Calculated Property |
| 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 |
| 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 |
| 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 |
Similar Compounds
Find more compounds similar to 3-Chlorobiphenyl.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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