- InChI
- InChI=1S/C21H24O5/c1-2-3-15-24-20(22)13-14-21(23)25-16-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-12H,2-3,13-16H2,1H3
- InChI Key
- VIVDCTAKMQUQRI-UHFFFAOYSA-N
- Formula
- C21H24O5
- SMILES
-
CCCCOC(=O)CCC(=O)OCc1ccc(Oc2cc
ccc2)cc1 - Molecular Weight1
- 356.41
- 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° | -231.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.646 | Crippen Calculated Property | |
| McVol | 279.980 | ml/mol | McGowan Calculated Property |
| Pc | 1584.75 | kPa | Joback Calculated Property |
| Inp | [2672.00; 2672.00] |
|
|
| Inp | 2672.00 | NIST | |
| Inp | 2672.00 | NIST | |
| Tboil | 913.22 | K | Joback Calculated Property |
| Tc | 1135.44 | K | Joback Calculated Property |
| Tfus | 558.34 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.73; 927.34] | J/mol×K | [913.22; 1135.44] |
|
| Cp,gas | 866.73 | J/mol×K | 913.22 | Joback Calculated Property |
| Cp,gas | 880.24 | J/mol×K | 950.26 | Joback Calculated Property |
| Cp,gas | 892.35 | J/mol×K | 987.29 | Joback Calculated Property |
| Cp,gas | 903.09 | J/mol×K | 1024.33 | Joback Calculated Property |
| Cp,gas | 912.49 | J/mol×K | 1061.37 | Joback Calculated Property |
| Cp,gas | 920.56 | J/mol×K | 1098.41 | Joback Calculated Property |
| Cp,gas | 927.34 | J/mol×K | 1135.44 | Joback Calculated Property |
| η | [0.0000366; 0.0003303] | Pa×s | [558.34; 913.22] |
|
| η | 0.0003303 | Pa×s | 558.34 | Joback Calculated Property |
| η | 0.0001920 | Pa×s | 617.49 | Joback Calculated Property |
| η | 0.0001227 | Pa×s | 676.63 | Joback Calculated Property |
| η | 0.0000843 | Pa×s | 735.78 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 794.93 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 854.07 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 913.22 | Joback Calculated Property |
Similar Compounds
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Sources
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