- InChI
- InChI=1S/C38H70O2/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/h6,8,12,14,18,22H,3-5,7,9-11,13,15-17,19-21,23-37H2,1-2H3/b8-6-,14-12-,22-18-
- InChI Key
- ZIFMUOBWYNUMBL-FLQWBAQUSA-N
- Formula
- C38H70O2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OCCCC
CCCCCCCCCCCCCCCC - Molecular Weight1
- 558.96
- 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° | 275.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 97.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.21 | kJ/mol | Joback Calculated Property |
| log10WS | -14.15 | Crippen Calculated Property | |
| logPoct/wat | 13.161 | Crippen Calculated Property | |
| McVol | 540.820 | ml/mol | McGowan Calculated Property |
| Pc | 459.71 | kPa | Joback Calculated Property |
| Inp | [3926.60; 3926.60] |
|
|
| Inp | 3926.60 | NIST | |
| Inp | 3926.60 | NIST | |
| Tboil | 1157.61 | K | Joback Calculated Property |
| Tc | 1511.77 | K | Joback Calculated Property |
| Tfus | 574.94 | K | Joback Calculated Property |
| Vc | 2.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2010.26; 2220.99] | J/mol×K | [1157.61; 1511.77] |
|
| Cp,gas | 2010.26 | J/mol×K | 1157.61 | Joback Calculated Property |
| Cp,gas | 2047.94 | J/mol×K | 1216.64 | Joback Calculated Property |
| Cp,gas | 2083.74 | J/mol×K | 1275.66 | Joback Calculated Property |
| Cp,gas | 2118.31 | J/mol×K | 1334.69 | Joback Calculated Property |
| Cp,gas | 2152.28 | J/mol×K | 1393.72 | Joback Calculated Property |
| Cp,gas | 2186.29 | J/mol×K | 1452.75 | Joback Calculated Property |
| Cp,gas | 2220.99 | J/mol×K | 1511.77 | Joback Calculated Property |
| η | [0.0000032; 0.0001243] | Pa×s | [574.94; 1157.61] |
|
| η | 0.0001243 | Pa×s | 574.94 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 672.05 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 769.16 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 866.28 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 963.39 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 1060.50 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 1157.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadeca-9,12,15-trienoic acid icosyl ester, Z,Z,Z.
Sources
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