- InChI
- InChI=1S/C38H72O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22H,3-11,13,15-17,19-21,23-37H2,1-2H3/b14-12-,22-18-
- InChI Key
- FQZCMDHWPNQVQZ-GVKPZOCESA-N
- Formula
- C38H72O2
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OCCCCC
CCCCCCCCCCCCCCC - Molecular Weight1
- 560.98
- 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° | 195.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 97.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.25 | kJ/mol | Joback Calculated Property |
| log10WS | -14.30 | Crippen Calculated Property | |
| logPoct/wat | 13.385 | Crippen Calculated Property | |
| McVol | 545.120 | ml/mol | McGowan Calculated Property |
| Pc | 449.63 | kPa | Joback Calculated Property |
| Inp | [3918.43; 3918.43] |
|
|
| Inp | 3918.43 | NIST | |
| Inp | 3918.43 | NIST | |
| Tboil | 1153.45 | K | Joback Calculated Property |
| Tc | 1517.37 | K | Joback Calculated Property |
| Tfus | 580.02 | K | Joback Calculated Property |
| Vc | 2.147 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2037.38; 2235.52] | J/mol×K | [1153.45; 1517.37] |
|
| Cp,gas | 2037.38 | J/mol×K | 1153.45 | Joback Calculated Property |
| Cp,gas | 2074.96 | J/mol×K | 1214.10 | Joback Calculated Property |
| Cp,gas | 2109.88 | J/mol×K | 1274.76 | Joback Calculated Property |
| Cp,gas | 2142.76 | J/mol×K | 1335.41 | Joback Calculated Property |
| Cp,gas | 2174.24 | J/mol×K | 1396.07 | Joback Calculated Property |
| Cp,gas | 2204.95 | J/mol×K | 1456.72 | Joback Calculated Property |
| Cp,gas | 2235.52 | J/mol×K | 1517.37 | Joback Calculated Property |
| η | [0.0000036; 0.0001329] | Pa×s | [580.02; 1153.45] |
|
| η | 0.0001329 | Pa×s | 580.02 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 675.59 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 771.16 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 866.74 | Joback Calculated Property |
| η | 0.0000074 | Pa×s | 962.31 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 1057.88 | Joback Calculated Property |
| η | 0.0000036 | Pa×s | 1153.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadeca-9,12-dienoic acid icosyl ester, Z.
Sources
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