- InChI
- InChI=1S/C36H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20H,3-5,7,9-10,15-16,21-35H2,1-2H3/b8-6-,13-11+,14-12-,19-17+,20-18-
- InChI Key
- WBOOWOSHLDPENH-CSKSNVOASA-N
- Formula
- C36H62O2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OCCCC
CCCCC=CCC=CCCCCC - Molecular Weight1
- 526.88
- 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° | 419.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 92.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.68 | kJ/mol | Joback Calculated Property |
| log10WS | -13.02 | Crippen Calculated Property | |
| logPoct/wat | 11.933 | Crippen Calculated Property | |
| McVol | 504.040 | ml/mol | McGowan Calculated Property |
| Pc | 524.12 | kPa | Joback Calculated Property |
| Inp | [3693.85; 3693.85] |
|
|
| Inp | 3693.85 | NIST | |
| Inp | 3693.85 | NIST | |
| Tboil | 1120.17 | K | Joback Calculated Property |
| Tc | 1418.22 | K | Joback Calculated Property |
| Tfus | 542.24 | K | Joback Calculated Property |
| Vc | 1.976 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1816.54; 2011.33] | J/mol×K | [1120.17; 1418.22] |
|
| Cp,gas | 1816.54 | J/mol×K | 1120.17 | Joback Calculated Property |
| Cp,gas | 1849.43 | J/mol×K | 1169.84 | Joback Calculated Property |
| Cp,gas | 1881.58 | J/mol×K | 1219.52 | Joback Calculated Property |
| Cp,gas | 1913.40 | J/mol×K | 1269.19 | Joback Calculated Property |
| Cp,gas | 1945.35 | J/mol×K | 1318.87 | Joback Calculated Property |
| Cp,gas | 1977.85 | J/mol×K | 1368.54 | Joback Calculated Property |
| Cp,gas | 2011.33 | J/mol×K | 1418.22 | Joback Calculated Property |
| η | [0.0000034; 0.0001475] | Pa×s | [542.24; 1120.17] |
|
| η | 0.0001475 | Pa×s | 542.24 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 638.56 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 734.88 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 831.21 | Joback Calculated Property |
| η | 0.0000072 | Pa×s | 927.53 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 1023.85 | Joback Calculated Property |
| η | 0.0000034 | Pa×s | 1120.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadeca-9,12,15-trienoic acid octadeca-9,12-dienyl ester.
Sources
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