- InChI
- InChI=1S/C38H68O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30H,3-10,12,14-16,18,20-21,23,25-27,29,31-37H2,1-2H3/b13-11-,19-17-,24-22-,30-28-
- InChI Key
- INCGCRQVVSKVJP-LGHBDAFPSA-N
- Formula
- C38H68O2
- SMILES
-
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC
CCCCCCCCCCCCCCCCC - Molecular Weight1
- 556.95
- 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° | 356.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 97.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.17 | kJ/mol | Joback Calculated Property |
| log10WS | -14.01 | Crippen Calculated Property | |
| logPoct/wat | 12.937 | Crippen Calculated Property | |
| McVol | 536.520 | ml/mol | McGowan Calculated Property |
| Pc | 470.13 | kPa | Joback Calculated Property |
| Inp | [3863.07; 3863.07] |
|
|
| Inp | 3863.07 | NIST | |
| Inp | 3863.07 | NIST | |
| Tboil | 1161.77 | K | Joback Calculated Property |
| Tc | 1506.82 | K | Joback Calculated Property |
| Tfus | 569.86 | K | Joback Calculated Property |
| Vc | 2.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1983.26; 2205.89] | J/mol×K | [1161.77; 1506.82] |
|
| Cp,gas | 1983.26 | J/mol×K | 1161.77 | Joback Calculated Property |
| Cp,gas | 2021.12 | J/mol×K | 1219.28 | Joback Calculated Property |
| Cp,gas | 2057.81 | J/mol×K | 1276.79 | Joback Calculated Property |
| Cp,gas | 2093.99 | J/mol×K | 1334.29 | Joback Calculated Property |
| Cp,gas | 2130.29 | J/mol×K | 1391.80 | Joback Calculated Property |
| Cp,gas | 2167.38 | J/mol×K | 1449.31 | Joback Calculated Property |
| Cp,gas | 2205.89 | J/mol×K | 1506.82 | Joback Calculated Property |
| η | [0.0000028; 0.0001163] | Pa×s | [569.86; 1161.77] |
|
| η | 0.0001163 | Pa×s | 569.86 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 668.51 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 767.16 | Joback Calculated Property |
| η | 0.0000096 | Pa×s | 865.81 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 964.47 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 1063.12 | Joback Calculated Property |
| η | 0.0000028 | Pa×s | 1161.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Icosa-5,8,11,14-tetraenoic acid octadecyl ester, Z,Z,Z,Z.
Sources
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