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- InChI
- InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
- InChI Key
- PYZHTHZEHQHHEN-UHFFFAOYSA-N
- Formula
- C12H3Cl7
- SMILES
- Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl
)c(Cl)c2Cl)c1 - Molecular Weight1
- 395.32
- CAS
- 52712-05-7
- Other Names
- 2,3,4,5,6,2',5'-Heptachlorobiphenyl
- PCB 185
- Sources
- 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).
- logPoct/wat: Octanol/Water partition coefficient.
- Pc: Critical Pressure (kPa).
- Tboil: Normal Boiling Point Temperature (K).
- Tc: Critical Temperature (K).
- Tfus: Normal melting (fusion) point (K).
- Vc: Critical Volume (m3/kg-mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 124.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.19 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 7.927 | Crippen Calculated Property | |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Tboil | 824.19 | K | Joback Calculated Property |
| Tc | 1096.84 | K | Joback Calculated Property |
| Tfus | 574.92 | K | Joback Calculated Property |
| Vc | 0.835 | m3/kg-mol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | 415.14 | J/mol×K | 824.19 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 824.19 | Joback Calculated Property |
Molecular Descriptors
| Joback and Reid Groups | |
|---|---|
| =C< (ring) | 9 |
| -Cl | 7 |
| =CH- (ring) | 3 |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,2',3,4,5,5',6-heptachloro-.
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