- InChI
- InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-39H2,1-2H3/b14-12+,20-18+
- InChI Key
- PZFBERMREGYNHL-PCSMDFMZSA-N
- Formula
- C40H76O2
- SMILES
-
CCCCCC=CCC=CCCCCCCCCOC(=O)CCCC
CCCCCCCCCCCCCCCCC - Molecular Weight1
- 589.03
- 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° | 212.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 102.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.71 | kJ/mol | Joback Calculated Property |
| log10WS | -15.14 | Crippen Calculated Property | |
| logPoct/wat | 14.165 | Crippen Calculated Property | |
| McVol | 573.300 | ml/mol | McGowan Calculated Property |
| Pc | 415.14 | kPa | Joback Calculated Property |
| Inp | 4121.72 | NIST | |
| Tboil | 1199.21 | K | Joback Calculated Property |
| Tc | 1618.93 | K | Joback Calculated Property |
| Tfus | 602.56 | K | Joback Calculated Property |
| Vc | 2.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2176.62; 2409.74] | J/mol×K | [1199.21; 1618.93] | 
|
| Cp,gas | 2176.62 | J/mol×K | 1199.21 | Joback Calculated Property |
| Cp,gas | 2219.48 | J/mol×K | 1269.16 | Joback Calculated Property |
| Cp,gas | 2259.38 | J/mol×K | 1339.12 | Joback Calculated Property |
| Cp,gas | 2297.34 | J/mol×K | 1409.07 | Joback Calculated Property |
| Cp,gas | 2334.37 | J/mol×K | 1479.03 | Joback Calculated Property |
| Cp,gas | 2371.50 | J/mol×K | 1548.98 | Joback Calculated Property |
| Cp,gas | 2409.74 | J/mol×K | 1618.93 | Joback Calculated Property |
| η | [0.0000026; 0.0000976] | Pa×s | [602.56; 1199.21] |
|
| η | 0.0000976 | Pa×s | 602.56 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 702.00 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 801.44 | Joback Calculated Property |
| η | 0.0000087 | Pa×s | 900.88 | Joback Calculated Property |
| η | 0.0000054 | Pa×s | 1000.33 | Joback Calculated Property |
| η | 0.0000036 | Pa×s | 1099.77 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 1199.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosanoic acid octadeca-9,12-dienyl ester, Z.
Sources
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