Chemical Properties of Fumaric acid, 3-heptyl hexadecyl ester

Fumaric acid, 3-heptyl hexadecyl ester

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InChI
InChI=1S/C27H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-8-5-2/h22-23,25H,4-21,24H2,1-3H3/b23-22+
InChI Key
XKLXSCDODPWNME-GHVJWSGMSA-N
Formula
C27H50O4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(CC)CCCC
Molecular Weight1
438.68
Sources

Physical Properties

Property Value Unit Source
Δf -213.60 kJ/mol Joback Calculated Property
Δfgas -978.27 kJ/mol Joback Calculated Property
Δfus 67.94 kJ/mol Joback Calculated Property
Δvap 93.58 kJ/mol Joback Calculated Property
logPoct/wat 8.08 Crippen Calculated Property
Pc 747.33 kPa Joback Calculated Property
Tboil 973.46 K Joback Calculated Property
Tc 1199.13 K Joback Calculated Property
Tfus 518.29 K Joback Calculated Property
Vc 1.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1382.13 J/mol×K 973.46 Joback Calculated Property
η 0.00 Pa×s 973.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 3
-CH2- 19
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, 3-heptyl octyl ester. Fumaric acid, 3-heptyl undecyl ester. Fumaric acid, 3-heptyl nonyl ester. Fumaric acid, decyl 3-heptyl ester. Fumaric acid, dodecyl 3-heptyl ester. Fumaric acid, 3-heptyl tetradecyl ester. Fumaric acid, eicosyl 3-heptyl ester. Fumaric acid, 3-heptyl pentadecyl ester. Fumaric acid, heptadecyl 3-heptyl ester. Fumaric acid, 3-heptyl tridecyl ester. Fumaric acid, 3-heptyl octadecyl ester. Fumaric acid, 3-heptyl nonadecyl ester. Fumaric acid, heptyl 3-heptyl ester. Fumaric acid, 3-heptyl hexyl ester. Fumaric acid, 4-octyl hept-2-yl ester.

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