- InChI
- InChI=1S/C21H38O4/c1-5-13-19(4)25-21(23)16-11-9-7-6-8-10-15-20(22)24-17-12-14-18(2)3/h5,18-19H,1,6-17H2,2-4H3
- InChI Key
- KQUSCIUECLIXIX-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
C=CCC(C)OC(=O)CCCCCCCCC(=O)OCC
CC(C)C - Molecular Weight1
- 354.52
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9640 | Relay (... Calculated Property | |
| ΔfG° | -258.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1024.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 47.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.36 | eV | Relay (... Calculated Property |
| log10WS | -4.86 | Relay (... Calculated Property | |
| logPoct/wat | 5.594 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1051.41 | kPa | Joback Calculated Property |
| Inp | 2358.00 | NIST | |
| Tboil | 623.19 | K | Relay (... Calculated Property |
| Tc | 782.52 | K | Relay (... Calculated Property |
| Tfus | 259.39 | K | Relay (... Calculated Property |
| Vc | 1.178 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1003.75; 1097.13] | J/mol×K | [828.26; 1016.75] | 
|
| Cp,gas | 1003.75 | J/mol×K | 828.26 | Joback Calculated Property |
| Cp,gas | 1021.99 | J/mol×K | 859.67 | Joback Calculated Property |
| Cp,gas | 1039.14 | J/mol×K | 891.09 | Joback Calculated Property |
| Cp,gas | 1055.20 | J/mol×K | 922.50 | Joback Calculated Property |
| Cp,gas | 1070.20 | J/mol×K | 953.92 | Joback Calculated Property |
| Cp,gas | 1084.17 | J/mol×K | 985.33 | Joback Calculated Property |
| Cp,gas | 1097.13 | J/mol×K | 1016.75 | Joback Calculated Property |
| η | [0.0000414; 0.0010680] | Pa×s | [438.99; 828.26] |
|
| η | 0.0010680 | Pa×s | 438.99 | Joback Calculated Property |
| η | 0.0004385 | Pa×s | 503.87 | Joback Calculated Property |
| η | 0.0002206 | Pa×s | 568.75 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 633.62 | Joback Calculated Property |
| η | 0.0000819 | Pa×s | 698.50 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 763.38 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 828.26 | Joback Calculated Property |
Similar Compounds
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Sources
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