- InChI
- InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H
- InChI Key
- YKKYCYQDUUXNLN-UHFFFAOYSA-N
- Formula
- C12H7Cl3
- SMILES
- Clc1ccc(-c2ccccc2Cl)c(Cl)c1
- Molecular Weight1
- 257.54
- CAS
- 37680-66-3
- Other Names
-
- 1,1'-Biphenyl, 2,2',4-trichloro-
- 2,2',4-Trichlorobiphenyl
- PCB 17
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 210.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 100.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.13 | Crippen Calculated Property | |
| logPoct/wat | 5.314 | Crippen Calculated Property | |
| McVol | 169.140 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | [1737.00; 1818.00] |
|
|
| Inp | 1818.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Inp | 1781.80 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1761.00 | NIST | |
| Inp | 1737.00 | NIST | |
| Inp | 1747.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1747.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Tboil | 654.55 | K | Joback Calculated Property |
| Tc | 917.95 | K | Joback Calculated Property |
| Tfus | 405.16 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.20; 405.36] | J/mol×K | [654.55; 917.95] |
|
| Cp,gas | 349.20 | J/mol×K | 654.55 | Joback Calculated Property |
| Cp,gas | 360.92 | J/mol×K | 698.45 | Joback Calculated Property |
| Cp,gas | 371.61 | J/mol×K | 742.35 | Joback Calculated Property |
| Cp,gas | 381.33 | J/mol×K | 786.25 | Joback Calculated Property |
| Cp,gas | 390.14 | J/mol×K | 830.15 | Joback Calculated Property |
| Cp,gas | 398.13 | J/mol×K | 874.05 | Joback Calculated Property |
| Cp,gas | 405.36 | J/mol×K | 917.95 | Joback Calculated Property |
| η | [0.0001852; 0.0010725] | Pa×s | [405.16; 654.55] |
|
| η | 0.0010725 | Pa×s | 405.16 | Joback Calculated Property |
| η | 0.0006985 | Pa×s | 446.73 | Joback Calculated Property |
| η | 0.0004893 | Pa×s | 488.29 | Joback Calculated Property |
| η | 0.0003625 | Pa×s | 529.86 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 571.42 | Joback Calculated Property |
| η | 0.0002248 | Pa×s | 612.99 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 654.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2',4-Trichloro-1,1'-biphenyl.
Sources
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