- InChI
- InChI=1S/C21H40O4/c1-16(2)15-24-19(22)13-11-9-7-8-10-12-14-20(23)25-21(17(3)4)18(5)6/h16-18,21H,7-15H2,1-6H3
- InChI Key
- IGBMTVOWDIDJSZ-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OC(C(
C)C)C(C)C - Molecular Weight1
- 356.54
- 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 | 0.9585 | Relay (1.0) Calculated Property | |
| ΔfG° | -351.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1118.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.530 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1033.90 | kPa | Joback Calculated Property |
| Inp | [2294.00; 2294.00] |
|
|
| Inp | 2294.00 | NIST | |
| Inp | 2294.00 | NIST | |
| Tboil | 611.05 | K | Relay (1.0) Calculated Property |
| Tc | 776.80 | K | Relay (1.0) Calculated Property |
| Tfus | 263.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.202 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.14; 1128.36] | J/mol×K | [830.70; 1020.47] |
|
| Cp,gas | 1032.14 | J/mol×K | 830.70 | Joback Calculated Property |
| Cp,gas | 1051.06 | J/mol×K | 862.33 | Joback Calculated Property |
| Cp,gas | 1068.79 | J/mol×K | 893.96 | Joback Calculated Property |
| Cp,gas | 1085.37 | J/mol×K | 925.58 | Joback Calculated Property |
| Cp,gas | 1100.82 | J/mol×K | 957.21 | Joback Calculated Property |
| Cp,gas | 1115.14 | J/mol×K | 988.84 | Joback Calculated Property |
| Cp,gas | 1128.36 | J/mol×K | 1020.47 | Joback Calculated Property |
| η | [0.0000326; 0.0016234] | Pa×s | [410.75; 830.70] |
|
| η | 0.0016234 | Pa×s | 410.75 | Joback Calculated Property |
| η | 0.0005267 | Pa×s | 480.74 | Joback Calculated Property |
| η | 0.0002275 | Pa×s | 550.73 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 620.73 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 690.72 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 760.71 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 830.70 | Joback Calculated Property |
Similar Compounds
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Sources
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