- InChI
- InChI=1S/C22H40O4/c1-4-6-7-12-15-19-25-21(23)17-13-10-8-9-11-14-18-22(24)26-20(3)16-5-2/h5,20H,2,4,6-19H2,1,3H3
- InChI Key
- JOUSBHQMBFKICW-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
C=CCC(C)OC(=O)CCCCCCCCC(=O)OCC
CCCCC - 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° | -248.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -866.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.72 | Crippen Calculated Property | |
| logPoct/wat | 6.129 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 983.93 | kPa | Joback Calculated Property |
| Inp | 2492.00 | NIST | |
| Tboil | 851.58 | K | Joback Calculated Property |
| Tc | 1043.11 | K | Joback Calculated Property |
| Tfus | 465.26 | K | Joback Calculated Property |
| Vc | 1.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.56; 1159.30] | J/mol×K | [851.58; 1043.11] | 
|
| Cp,gas | 1064.56 | J/mol×K | 851.58 | Joback Calculated Property |
| Cp,gas | 1083.16 | J/mol×K | 883.50 | Joback Calculated Property |
| Cp,gas | 1100.60 | J/mol×K | 915.42 | Joback Calculated Property |
| Cp,gas | 1116.90 | J/mol×K | 947.35 | Joback Calculated Property |
| Cp,gas | 1132.10 | J/mol×K | 979.27 | Joback Calculated Property |
| Cp,gas | 1146.23 | J/mol×K | 1011.19 | Joback Calculated Property |
| Cp,gas | 1159.30 | J/mol×K | 1043.11 | Joback Calculated Property |
| η | [0.0000390; 0.0007948] | Pa×s | [465.26; 851.58] |
|
| η | 0.0007948 | Pa×s | 465.26 | Joback Calculated Property |
| η | 0.0003544 | Pa×s | 529.65 | Joback Calculated Property |
| η | 0.0001883 | Pa×s | 594.03 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 658.42 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 722.81 | Joback Calculated Property |
| η | 0.0000525 | Pa×s | 787.19 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 851.58 | Joback Calculated Property |
Similar Compounds
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Sources
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