- InChI
- InChI=1S/C36H64O2/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/h5,7,11,13,17-20H,3-4,6,8-10,12,14-16,21-35H2,1-2H3/b7-5+,13-11+,19-17+,20-18-
- InChI Key
- AGAGKLWHIZXMOT-UJGICNFHSA-N
- Formula
- C36H64O2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCCOC(=O)CCC
CCCCC=CCCCCCCCC - Molecular Weight1
- 528.89
- 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° | 339.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 92.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.72 | kJ/mol | Joback Calculated Property |
| log10WS | -13.17 | Crippen Calculated Property | |
| logPoct/wat | 12.157 | Crippen Calculated Property | |
| McVol | 508.340 | ml/mol | McGowan Calculated Property |
| Pc | 511.87 | kPa | Joback Calculated Property |
| Inp | [3699.58; 3699.58] |
|
|
| Inp | 3699.58 | NIST | |
| Inp | 3699.58 | NIST | |
| Tboil | 1116.01 | K | Joback Calculated Property |
| Tc | 1420.29 | K | Joback Calculated Property |
| Tfus | 547.32 | K | Joback Calculated Property |
| Vc | 1.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1844.08; 2031.78] | J/mol×K | [1116.01; 1420.29] |
|
| Cp,gas | 1844.08 | J/mol×K | 1116.01 | Joback Calculated Property |
| Cp,gas | 1877.03 | J/mol×K | 1166.72 | Joback Calculated Property |
| Cp,gas | 1908.75 | J/mol×K | 1217.44 | Joback Calculated Property |
| Cp,gas | 1939.65 | J/mol×K | 1268.15 | Joback Calculated Property |
| Cp,gas | 1970.18 | J/mol×K | 1318.87 | Joback Calculated Property |
| Cp,gas | 2000.75 | J/mol×K | 1369.58 | Joback Calculated Property |
| Cp,gas | 2031.78 | J/mol×K | 1420.29 | Joback Calculated Property |
| η | [0.0000039; 0.0001575] | Pa×s | [547.32; 1116.01] |
|
| η | 0.0001575 | Pa×s | 547.32 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 642.10 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 736.88 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 831.66 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 926.45 | Joback Calculated Property |
| η | 0.0000054 | Pa×s | 1021.23 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 1116.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadec-9-enoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z,Z.
Sources
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