- InChI
- InChI=1S/C20H22O6/c1-23-17-9-5-3-7-15(17)13-25-19(21)11-12-20(22)26-14-16-8-4-6-10-18(16)24-2/h3-10H,11-14H2,1-2H3
- InChI Key
- UYMABPQWVBVRMY-UHFFFAOYSA-N
- Formula
- C20H22O6
- SMILES
-
COc1ccccc1COC(=O)CCC(=O)OCc1cc
ccc1OC - Molecular Weight1
- 358.39
- 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° | -354.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.271 | Crippen Calculated Property | |
| McVol | 271.760 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | [2813.00; 2813.00] |
|
|
| Inp | 2813.00 | NIST | |
| Inp | 2813.00 | NIST | |
| Tboil | 917.74 | K | Joback Calculated Property |
| Tc | 1141.32 | K | Joback Calculated Property |
| Tfus | 581.82 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [834.35; 887.16] | J/mol×K | [917.74; 1141.32] |
|
| Cp,gas | 834.35 | J/mol×K | 917.74 | Joback Calculated Property |
| Cp,gas | 846.90 | J/mol×K | 955.00 | Joback Calculated Property |
| Cp,gas | 857.95 | J/mol×K | 992.27 | Joback Calculated Property |
| Cp,gas | 867.50 | J/mol×K | 1029.53 | Joback Calculated Property |
| Cp,gas | 875.56 | J/mol×K | 1066.79 | Joback Calculated Property |
| Cp,gas | 882.11 | J/mol×K | 1104.06 | Joback Calculated Property |
| Cp,gas | 887.16 | J/mol×K | 1141.32 | Joback Calculated Property |
| η | [0.0000321; 0.0002313] | Pa×s | [581.82; 917.74] |
|
| η | 0.0002313 | Pa×s | 581.82 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 637.81 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 693.79 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 749.78 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 805.77 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 861.75 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 917.74 | Joback Calculated Property |
Similar Compounds
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Sources
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