- InChI
- InChI=1S/C22H40O4/c1-6-7-8-9-10-11-12-13-14-15-18-25-20(23)16-17-21(24)26-19(2)22(3,4)5/h16-17,19H,6-15,18H2,1-5H3/b17-16+
- InChI Key
- QYYKLNNWRUGSLF-WUKNDPDISA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C=CC(=O)OC(C
)C(C)(C)C - Molecular Weight1
- 368.55
- 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° | -252.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.48 | Crippen Calculated Property | |
| logPoct/wat | 5.985 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 1002.08 | kPa | Joback Calculated Property |
| Inp | [2441.00; 2441.00] |
|
|
| Inp | 2441.00 | NIST | |
| Inp | 2441.00 | NIST | |
| Tboil | 855.83 | K | Joback Calculated Property |
| Tc | 1050.45 | K | Joback Calculated Property |
| Tfus | 464.36 | K | Joback Calculated Property |
| Vc | 1.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.82; 1162.06] | J/mol×K | [855.83; 1050.45] |
|
| Cp,gas | 1066.82 | J/mol×K | 855.83 | Joback Calculated Property |
| Cp,gas | 1085.31 | J/mol×K | 888.27 | Joback Calculated Property |
| Cp,gas | 1102.69 | J/mol×K | 920.70 | Joback Calculated Property |
| Cp,gas | 1119.00 | J/mol×K | 953.14 | Joback Calculated Property |
| Cp,gas | 1134.30 | J/mol×K | 985.58 | Joback Calculated Property |
| Cp,gas | 1148.64 | J/mol×K | 1018.01 | Joback Calculated Property |
| Cp,gas | 1162.06 | J/mol×K | 1050.45 | Joback Calculated Property |
| η | [0.0000250; 0.0006931] | Pa×s | [464.36; 855.83] |
|
| η | 0.0006931 | Pa×s | 464.36 | Joback Calculated Property |
| η | 0.0002832 | Pa×s | 529.61 | Joback Calculated Property |
| η | 0.0001408 | Pa×s | 594.85 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 660.10 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 725.34 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 790.59 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 855.83 | Joback Calculated Property |
Similar Compounds
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Sources
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