- InChI
- InChI=1S/C22H42O4/c1-6-7-14-17-25-20(23)15-12-10-8-9-11-13-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3
- InChI Key
- LKIINCXMPDZXAK-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)OC(C(C
)C)C(C)C - Molecular Weight1
- 370.57
- 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 | 1.0168 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1119.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.064 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 968.07 | kPa | Joback Calculated Property |
| Inp | 2435.00 | NIST | |
| Tboil | 618.82 | K | Relay (1.0) Calculated Property |
| Tc | 789.65 | K | Relay (1.0) Calculated Property |
| Tfus | 258.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.255 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.43; 1190.56] | J/mol×K | [854.02; 1046.45] | 
|
| Cp,gas | 1093.43 | J/mol×K | 854.02 | Joback Calculated Property |
| Cp,gas | 1112.63 | J/mol×K | 886.09 | Joback Calculated Property |
| Cp,gas | 1130.59 | J/mol×K | 918.16 | Joback Calculated Property |
| Cp,gas | 1147.34 | J/mol×K | 950.24 | Joback Calculated Property |
| Cp,gas | 1162.90 | J/mol×K | 982.31 | Joback Calculated Property |
| Cp,gas | 1177.30 | J/mol×K | 1014.38 | Joback Calculated Property |
| Cp,gas | 1190.56 | J/mol×K | 1046.45 | Joback Calculated Property |
| η | [0.0000305; 0.0011301] | Pa×s | [437.02; 854.02] |
|
| η | 0.0011301 | Pa×s | 437.02 | Joback Calculated Property |
| η | 0.0004097 | Pa×s | 506.52 | Joback Calculated Property |
| η | 0.0001897 | Pa×s | 576.02 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 645.52 | Joback Calculated Property |
| η | 0.0000637 | Pa×s | 715.02 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 784.52 | Joback Calculated Property |
| η | 0.0000305 | Pa×s | 854.02 | Joback Calculated Property |
Similar Compounds
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Sources
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