Chemical Properties of 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)- (CAS 537-39-3)

9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+
InChI Key
PHYFQTYBJUILEZ-WUOFIQDXSA-N
Formula
C57H104O6
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
Molecular Weight1
885.43
CAS
537-39-3
Other Names
  • 1,2,3-propanetriyl tris[(E)-9-octadecenoate]
Sources

Physical Properties

Property Value Unit Source
Δf -34.48 kJ/mol Joback Calculated Property
Δfgas -1607.83 kJ/mol Joback Calculated Property
Δfus 148.83 kJ/mol Joback Calculated Property
Δvap 169.43 kJ/mol Joback Calculated Property
logPoct/wat 18.10 Crippen Calculated Property
Pc 245.06 kPa Joback Calculated Property
Tboil 1744.47 K Joback Calculated Property
Tc 4418.33 K Joback Calculated Property
Tfus 918.39 K Joback Calculated Property
Vc 3.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 3418.56 J/mol×K 1744.47 Joback Calculated Property
η 0.00 Pa×s 1744.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
>C=O (nonring) 3
-CH2- 44
=CH- 6
-CH3 3

Similar Compounds

Triolein. 9-Octadecenoic acid (Z)-, 2,3-bis(acetyloxy)propyl ester. Glycerol cis-6-octadecenoate. Trilinolein. (Z)-1,3-Dimethoxypropan-2-yl octadec-11-enoate. (Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate. (Z)-1,3-Dimethoxypropan-2-yl icos-11-enoate. (Z)-1,3-Dimethoxypropan-2-yl tetracos-15-enoate. 1,3-Dimethoxypropan-2-yl oleate. Triaachidin. Decanoic acid, 1,2,3-propanetriyl ester. 2-(Heptanoyloxy)propane-1,3-diyl dioctanoate. 2-(Nonanoyloxy)propane-1,3-diyl dioctanoate. 2-(Octanoyloxy)propane-1,3-diyl bis(decanoate). Tripalmitin.

Find more compounds similar to 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.