- InChI
- InChI=1S/C22H12Cl6O4/c23-11-5-17(25)15(18(26)6-11)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-16-19(27)7-12(24)8-20(16)28/h1-8H,9-10H2
- InChI Key
- XQNLRWJXCKJBAO-UHFFFAOYSA-N
- Formula
- C22H12Cl6O4
- SMILES
-
O=C(OCc1c(Cl)cc(Cl)cc1Cl)c1ccc
cc1C(=O)OCc1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 553.05
- 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° | -135.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.65 | kJ/mol | Joback Calculated Property |
| log10WS | -10.29 | Crippen Calculated Property | |
| logPoct/wat | 8.321 | Crippen Calculated Property | |
| McVol | 337.880 | ml/mol | McGowan Calculated Property |
| Pc | 1511.67 | kPa | Joback Calculated Property |
| Inp | 3434.00 | NIST | |
| Tboil | 1194.82 | K | Joback Calculated Property |
| Tc | 1470.05 | K | Joback Calculated Property |
| Tfus | 828.44 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.30; 871.08] | J/mol×K | [1194.82; 1470.05] | 
|
| Cp,gas | 868.69 | J/mol×K | 1194.82 | Joback Calculated Property |
| Cp,gas | 870.65 | J/mol×K | 1240.69 | Joback Calculated Property |
| Cp,gas | 871.08 | J/mol×K | 1286.56 | Joback Calculated Property |
| Cp,gas | 870.01 | J/mol×K | 1332.44 | Joback Calculated Property |
| Cp,gas | 867.49 | J/mol×K | 1378.31 | Joback Calculated Property |
| Cp,gas | 863.57 | J/mol×K | 1424.18 | Joback Calculated Property |
| Cp,gas | 858.30 | J/mol×K | 1470.05 | Joback Calculated Property |
| η | [0.0000188; 0.0000792] | Pa×s | [828.44; 1194.82] |
|
| η | 0.0000792 | Pa×s | 828.44 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 889.50 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 950.57 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 1011.63 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 1072.69 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 1133.76 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 1194.82 | Joback Calculated Property |
Similar Compounds
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Sources
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