- InChI
- InChI=1S/C20H20Cl2O6/c1-25-17-9-15(21)5-3-13(17)11-27-19(23)7-8-20(24)28-12-14-4-6-16(22)10-18(14)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3
- InChI Key
- TYGYKEIGXQMKCZ-UHFFFAOYSA-N
- Formula
- C20H20Cl2O6
- SMILES
-
COc1cc(Cl)ccc1COC(=O)CCC(=O)OC
c1ccc(Cl)cc1OC - Molecular Weight1
- 427.27
- 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° | -397.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 4.577 | Crippen Calculated Property | |
| McVol | 296.240 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Inp | [3103.00; 3103.00] |
|
|
| Inp | 3103.00 | NIST | |
| Inp | 3103.00 | NIST | |
| Tboil | 1002.56 | K | Joback Calculated Property |
| Tc | 1236.99 | K | Joback Calculated Property |
| Tfus | 666.70 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.16; 899.75] | J/mol×K | [1002.56; 1236.99] |
|
| Cp,gas | 871.16 | J/mol×K | 1002.56 | Joback Calculated Property |
| Cp,gas | 880.14 | J/mol×K | 1041.63 | Joback Calculated Property |
| Cp,gas | 887.46 | J/mol×K | 1080.70 | Joback Calculated Property |
| Cp,gas | 893.09 | J/mol×K | 1119.77 | Joback Calculated Property |
| Cp,gas | 897.03 | J/mol×K | 1158.84 | Joback Calculated Property |
| Cp,gas | 899.26 | J/mol×K | 1197.92 | Joback Calculated Property |
| Cp,gas | 899.75 | J/mol×K | 1236.99 | Joback Calculated Property |
| η | [0.0000244; 0.0001333] | Pa×s | [666.70; 1002.56] |
|
| η | 0.0001333 | Pa×s | 666.70 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 722.68 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 778.65 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 834.63 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 890.61 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 946.58 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 1002.56 | Joback Calculated Property |
Similar Compounds
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Sources
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