- InChI
- InChI=1S/C36H60O2/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/h5-8,11-14,17-20H,3-4,9-10,15-16,21-35H2,1-2H3/b7-5+,8-6-,13-11+,14-12-,19-17+,20-18-
- InChI Key
- LZUIYJJRANHRNH-XROYEESUSA-N
- Formula
- C36H60O2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCCOC(=O)CCC
CCCCC=CCC=CCC=CCC - Molecular Weight1
- 524.86
- 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° | 499.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 93.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.63 | kJ/mol | Joback Calculated Property |
| log10WS | -12.88 | Crippen Calculated Property | |
| logPoct/wat | 11.709 | Crippen Calculated Property | |
| McVol | 499.740 | ml/mol | McGowan Calculated Property |
| Pc | 536.83 | kPa | Joback Calculated Property |
| Inp | 3702.13 | NIST | |
| Tboil | 1124.33 | K | Joback Calculated Property |
| Tc | 1416.67 | K | Joback Calculated Property |
| Tfus | 537.16 | K | Joback Calculated Property |
| Vc | 1.956 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1789.07; 1991.01] | J/mol×K | [1124.33; 1416.67] | 
|
| Cp,gas | 1789.07 | J/mol×K | 1124.33 | Joback Calculated Property |
| Cp,gas | 1822.00 | J/mol×K | 1173.05 | Joback Calculated Property |
| Cp,gas | 1854.64 | J/mol×K | 1221.78 | Joback Calculated Property |
| Cp,gas | 1887.41 | J/mol×K | 1270.50 | Joback Calculated Property |
| Cp,gas | 1920.77 | J/mol×K | 1319.23 | Joback Calculated Property |
| Cp,gas | 1955.16 | J/mol×K | 1367.95 | Joback Calculated Property |
| Cp,gas | 1991.01 | J/mol×K | 1416.67 | Joback Calculated Property |
| η | [0.0000030; 0.0001381] | Pa×s | [537.16; 1124.33] |
|
| η | 0.0001381 | Pa×s | 537.16 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 635.02 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 732.88 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 830.74 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 928.61 | Joback Calculated Property |
| η | 0.0000042 | Pa×s | 1026.47 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 1124.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadeca-9,12,15-trienoic acid octadeca-9,12,15-trienyl ester.
Sources
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