- InChI
- InChI=1S/C21H38O4/c1-6-7-8-9-10-11-12-13-14-17-24-19(22)15-16-20(23)25-18(2)21(3,4)5/h15-16,18H,6-14,17H2,1-5H3/b16-15+
- InChI Key
- IKYHCCHPDCEKEK-FOCLMDBBSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OC(C)
C(C)(C)C - Molecular Weight1
- 354.52
- 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° | -261.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -863.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.93 | kJ/mol | Joback Calculated Property |
| log10WS | -6.06 | Crippen Calculated Property | |
| logPoct/wat | 5.594 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1065.87 | kPa | Joback Calculated Property |
| Inp | 2342.00 | NIST | |
| Tboil | 832.95 | K | Joback Calculated Property |
| Tc | 1024.99 | K | Joback Calculated Property |
| Tfus | 453.09 | K | Joback Calculated Property |
| Vc | 1.222 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.73; 1099.47] | J/mol×K | [832.95; 1024.99] | 
|
| Cp,gas | 1005.73 | J/mol×K | 832.95 | Joback Calculated Property |
| Cp,gas | 1023.88 | J/mol×K | 864.96 | Joback Calculated Property |
| Cp,gas | 1040.95 | J/mol×K | 896.96 | Joback Calculated Property |
| Cp,gas | 1057.00 | J/mol×K | 928.97 | Joback Calculated Property |
| Cp,gas | 1072.08 | J/mol×K | 960.97 | Joback Calculated Property |
| Cp,gas | 1086.22 | J/mol×K | 992.98 | Joback Calculated Property |
| Cp,gas | 1099.47 | J/mol×K | 1024.99 | Joback Calculated Property |
| η | [0.0000292; 0.0007917] | Pa×s | [453.09; 832.95] |
|
| η | 0.0007917 | Pa×s | 453.09 | Joback Calculated Property |
| η | 0.0003260 | Pa×s | 516.40 | Joback Calculated Property |
| η | 0.0001630 | Pa×s | 579.71 | Joback Calculated Property |
| η | 0.0000934 | Pa×s | 643.02 | Joback Calculated Property |
| η | 0.0000591 | Pa×s | 706.33 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 769.64 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 832.95 | Joback Calculated Property |
Similar Compounds
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Sources
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