Chemical Properties of Trilinolein (CAS 537-40-6)

Trilinolein

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InChI
InChI=1S/C57H98O6/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/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
InChI Key
HBOQXIRUPVQLKX-BBWANDEASA-N
Formula
C57H98O6
SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC
Molecular Weight1
879.38
CAS
537-40-6
Other Names
  • 9,12-Octadecadienoic acid (Z,Z)-, 1,2,3-propanetriyl ester
  • propane-1,2,3-triyl tris[(9Z,12Z)-octadeca-9,12-dienoate]
Sources

Physical Properties

Property Value Unit Source
Δcliquid -34555.70 ± 1.30 kJ/mol NIST
Δf 206.18 kJ/mol Joback Calculated Property
Δfgas -1256.17 kJ/mol Joback Calculated Property
Δfus 149.44 kJ/mol Joback Calculated Property
Δvap 169.30 kJ/mol Joback Calculated Property
logPoct/wat 17.43 Crippen Calculated Property
Pc 257.48 kPa Joback Calculated Property
Tboil 1756.95 K Joback Calculated Property
Tc 3990.34 K Joback Calculated Property
Tfus 903.15 K Joback Calculated Property
Vc 3.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 3483.90 J/mol×K 1756.95 Joback Calculated Property
η 0.00 Pa×s 1756.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>CH- 1
-CH3 3
-CH2- 38
=CH- 12
>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. Glycerol cis-6-octadecenoate. (9Z,12Z)-1,3-Dimethoxypropan-2-yl octadeca-9,12-dienoate. (9Z,12Z,15Z)-1,3-Dimethoxypropan-2-yl octadeca-9,12,15-trienoate. (9Z,12Z)-2,3-Dimethoxypropyl octadeca-9,12-dienoate. (9Z,12Z)-1-Hydroxy-3-methoxypropan-2-yl octadeca-9,12-dienoate. (9Z,12Z,15Z)-2,3-Dimethoxypropyl octadeca-9,12,15-trienoate. (9Z,12Z,15Z)-1-Hydroxy-3-methoxypropan-2-yl octadeca-9,12,15-trienoate. (Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate. (Z)-1,3-Dimethoxypropan-2-yl octadec-11-enoate. 1,3-Dimethoxypropan-2-yl oleate. (Z)-1,3-Dimethoxypropan-2-yl icos-11-enoate. (Z)-1,3-Dimethoxypropan-2-yl tetracos-15-enoate.

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