- InChI
- InChI=1S/C12H4Cl6O/c13-5-1-3-7(11(17)9(5)15)19-8-4-2-6(14)10(16)12(8)18/h1-4H
- InChI Key
- ATIMVMORQPKRPC-UHFFFAOYSA-N
- Formula
- C12H4Cl6O
- SMILES
-
Clc1ccc(Oc2ccc(Cl)c(Cl)c2Cl)c(
Cl)c1Cl - Molecular Weight1
- 376.88
- 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).
- 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° | 40.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.55 | kJ/mol | Joback Calculated Property |
| log10WS | -8.14 | Aq. Sol... | |
| logPoct/wat | 7.399 | Crippen Calculated Property | |
| McVol | 211.730 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Tboil | 804.20 | K | Joback Calculated Property |
| Tc | 1070.09 | K | Joback Calculated Property |
| Tfus | 554.71 | K | Joback Calculated Property |
| Vc | 0.803 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.11; 457.46] | J/mol×K | [804.20; 1070.09] | 
|
| Cp,gas | 423.11 | J/mol×K | 804.20 | Joback Calculated Property |
| Cp,gas | 430.92 | J/mol×K | 848.51 | Joback Calculated Property |
| Cp,gas | 437.87 | J/mol×K | 892.83 | Joback Calculated Property |
| Cp,gas | 443.98 | J/mol×K | 937.14 | Joback Calculated Property |
| Cp,gas | 449.28 | J/mol×K | 981.46 | Joback Calculated Property |
| Cp,gas | 453.76 | J/mol×K | 1025.77 | Joback Calculated Property |
| Cp,gas | 457.46 | J/mol×K | 1070.09 | Joback Calculated Property |
| η | [0.0001083; 0.0004031] | Pa×s | [554.71; 804.20] |
|
| η | 0.0004031 | Pa×s | 554.71 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 596.29 | Joback Calculated Property |
| η | 0.0002321 | Pa×s | 637.87 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 679.46 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 721.04 | Joback Calculated Property |
| η | 0.0001270 | Pa×s | 762.62 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 804.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2',3,3',4,4'-Hexachlorodiphenyl ether.
Sources
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