Chemical Properties of Glycerol cis-6-octadecenoate (CAS 3296-43-3)

Glycerol cis-6-octadecenoate

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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/h34-39,54H,4-33,40-53H2,1-3H3/b37-34-,38-35-,39-36-
InChI Key
SEMJUQWPYRYUOY-ISKMNAODSA-N
Formula
C57H104O6
SMILES
CCCCCCCCCCCC=CCCCCC(=O)OCC(COC(=O)CCCCC=CCCCCCCCCCCC)OC(=O)CCCCC=CCCCCCCCCCCC
Molecular Weight1
885.43
CAS
3296-43-3
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
-O- (nonring) 3
>CH- 1
-CH3 3
-CH2- 44
=CH- 6
>C=O (nonring) 3

Similar Compounds

Triolein. 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)-. 9-Octadecenoic acid (Z)-, 2,3-bis(acetyloxy)propyl ester. Trilinolein. (Z)-1,3-Dimethoxypropan-2-yl tetracos-15-enoate. (Z)-1,3-Dimethoxypropan-2-yl octadec-11-enoate. (Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate. 1,3-Dimethoxypropan-2-yl oleate. (Z)-1,3-Dimethoxypropan-2-yl icos-11-enoate. 2-(Nonanoyloxy)propane-1,3-diyl dioctanoate. 2-(Decanoyloxy)propane-1,3-diyl dioctanoate. 2-(Heptanoyloxy)propane-1,3-diyl dioctanoate. Dodecanoic acid, 1,2,3-propanetriyl ester. Decanoic acid, 1,2,3-propanetriyl ester. Docosanoic acid, 1,2,3-propanetriyl ester.

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