Chemical Properties of Icosa-5,8,11,14-tetraenoic acid docosyl ester, Z,Z,Z,Z

Icosa-5,8,11,14-tetraenoic acid docosyl ester, Z,Z,Z,Z

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InChI
InChI=1S/C42H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,32,34H,3-11,13,15-17,19,21-25,27,29-31,33,35-41H2,1-2H3/b14-12-,20-18-,28-26-,34-32-
InChI Key
IAYKYXSBKLGMJZ-BHBANYMDSA-N
Formula
C42H76O2
SMILES
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
Molecular Weight1
613.05
Sources

Physical Properties

Property Value Unit Source
Δf 389.72 kJ/mol Joback Calculated Property
Δfgas -686.13 kJ/mol Joback Calculated Property
Δfus 108.13 kJ/mol Joback Calculated Property
Δvap 118.07 kJ/mol Joback Calculated Property
logPoct/wat 14.50 Crippen Calculated Property
Pc 400.64 kPa Joback Calculated Property
Tboil 1253.29 K Joback Calculated Property
Tc 1709.95 K Joback Calculated Property
Tfus 614.94 K Joback Calculated Property
Vc 2.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 2267.45 J/mol×K 1253.29 Joback Calculated Property
η 0.00 Pa×s 1253.29 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 31
>C=O (nonring) 1
=CH- 8
-CH3 2

Similar Compounds

Icosa-5,8,11,14-tetraenoic acid octadecyl ester, Z,Z,Z,Z. Icosa-5,8,11,14-tetraenoic acid icosyl ester, Z,Z,Z,Z. Icosa-5,8,11,14-tetraenoic acid dodecyl ester, Z,Z,Z,Z. Icosa-5,8,11,14-tetraenoic acid hexadecyl ester, Z,Z,Z,Z. Icosa-5,8,11,14-tetraenoic acid tetradecyl ester, Z,Z,Z,Z. Icosa-5,8,11,14-tetraenoic acid tetradec-9-enyl ester. Icosa-5,8,11,14-tetraenoic acid hexadec-7-enyl ester. Icosa-5,8,11,14-tetraenoic acid octadeca-9,12-dienyl ester. Icosa-5,8,11,14-tetraenoic acid octadec-9-enyl ester. Docosanoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z. Octadeca-9,12,15-trienoic acid docosyl ester, Z,Z,Z. Octadeca-9,12,15-trienoic acid hexadecyl ester, Z,Z,Z. Octadeca-9,12,15-trienoic acid tetradecyl ester,Z,Z,Z. Tetradec-9-enoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z,Z. Octadeca-9,12,15-trienoic acid octadeca-9,12-dienyl ester.

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