- InChI
- InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
- InChI Key
- JWEYEHAVGPUUDR-UHFFFAOYSA-N
- Formula
- C42H84O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC
CCCCCCCCCCCCCCCCC - Molecular Weight1
- 621.12
- CAS
- 42233-14-7
- Other Names
-
- icosyl docosanoate
- 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° | 68.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1155.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 107.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.24 | kJ/mol | Joback Calculated Property |
| log10WS | -16.27 | Crippen Calculated Property | |
| logPoct/wat | 15.393 | Crippen Calculated Property | |
| McVol | 610.080 | ml/mol | McGowan Calculated Property |
| Pc | 369.25 | kPa | Joback Calculated Property |
| Inp | 4346.38 | NIST | |
| Tboil | 1236.65 | K | Joback Calculated Property |
| Tc | 1759.52 | K | Joback Calculated Property |
| Tfus | 635.26 | K | Joback Calculated Property |
| Vc | 2.412 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2367.68; 2579.83] | J/mol×K | [1236.65; 1759.52] | 
|
| Cp,gas | 2367.68 | J/mol×K | 1236.65 | Joback Calculated Property |
| Cp,gas | 2414.29 | J/mol×K | 1323.80 | Joback Calculated Property |
| Cp,gas | 2454.15 | J/mol×K | 1410.94 | Joback Calculated Property |
| Cp,gas | 2488.95 | J/mol×K | 1498.09 | Joback Calculated Property |
| Cp,gas | 2520.37 | J/mol×K | 1585.23 | Joback Calculated Property |
| Cp,gas | 2550.10 | J/mol×K | 1672.38 | Joback Calculated Property |
| Cp,gas | 2579.83 | J/mol×K | 1759.52 | Joback Calculated Property |
| η | [0.0000024; 0.0000818] | Pa×s | [635.26; 1236.65] |
|
| η | 0.0000818 | Pa×s | 635.26 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 735.49 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 835.72 | Joback Calculated Property |
| η | 0.0000079 | Pa×s | 935.96 | Joback Calculated Property |
| η | 0.0000049 | Pa×s | 1036.19 | Joback Calculated Property |
| η | 0.0000033 | Pa×s | 1136.42 | Joback Calculated Property |
| η | 0.0000024 | Pa×s | 1236.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to eicosanyl docosanoate.
Sources
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