- InChI
- InChI=1S/C21H24O6/c1-14-8-10-16(24-3)18(12-14)26-20(22)6-5-7-21(23)27-19-13-15(2)9-11-17(19)25-4/h8-13H,5-7H2,1-4H3
- InChI Key
- MKIDKWJVEGCGSX-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
COc1ccc(C)cc1OC(=O)CCCC(=O)Oc1
cc(C)ccc1OC - Molecular Weight1
- 372.41
- 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° | -365.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -803.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.002 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Inp | 2901.00 | NIST | |
| Tboil | 950.58 | K | Joback Calculated Property |
| Tc | 1175.75 | K | Joback Calculated Property |
| Tfus | 618.13 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [889.84; 938.55] | J/mol×K | [950.58; 1175.75] | 
|
| Cp,gas | 889.84 | J/mol×K | 950.58 | Joback Calculated Property |
| Cp,gas | 902.04 | J/mol×K | 988.11 | Joback Calculated Property |
| Cp,gas | 912.62 | J/mol×K | 1025.64 | Joback Calculated Property |
| Cp,gas | 921.57 | J/mol×K | 1063.16 | Joback Calculated Property |
| Cp,gas | 928.89 | J/mol×K | 1100.69 | Joback Calculated Property |
| Cp,gas | 934.56 | J/mol×K | 1138.22 | Joback Calculated Property |
| Cp,gas | 938.55 | J/mol×K | 1175.75 | Joback Calculated Property |
| η | [0.0000291; 0.0001708] | Pa×s | [618.13; 950.58] |
|
| η | 0.0001708 | Pa×s | 618.13 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 673.54 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 728.95 | Joback Calculated Property |
| η | 0.0000584 | Pa×s | 784.36 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 839.76 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 895.17 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 950.58 | Joback Calculated Property |
Similar Compounds
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Sources
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