Chemical Properties of Fumaric acid, heptadecyl 3-oxobut-2-yl ester

Fumaric acid, heptadecyl 3-oxobut-2-yl ester

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InChI
InChI=1S/C25H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-24(27)19-20-25(28)30-23(3)22(2)26/h19-20,23H,4-18,21H2,1-3H3/b20-19+
InChI Key
VQJZWNXAZIXVHO-FMQUCBEESA-N
Formula
C25H44O5
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C)C(C)=O
Molecular Weight1
424.61
Sources

Physical Properties

Property Value Unit Source
Δf -359.36 kJ/mol Joback Calculated Property
Δfgas -1049.57 kJ/mol Joback Calculated Property
Δfus 64.36 kJ/mol Joback Calculated Property
Δvap 95.87 kJ/mol Joback Calculated Property
logPoct/wat 6.48 Crippen Calculated Property
Pc 863.53 kPa Joback Calculated Property
Tboil 981.57 K Joback Calculated Property
Tc 1205.71 K Joback Calculated Property
Tfus 545.68 K Joback Calculated Property
Vc 1.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1273.83 J/mol×K 981.57 Joback Calculated Property
η 0.00 Pa×s 981.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 3
-CH2- 16
=CH- 2
-CH3 3

Similar Compounds

Fumaric acid, octyl 3-oxobut-2-yl ester. Fumaric acid, nonyl 3-oxobut-2-yl ester. Fumaric acid, 3-oxobut-2-yl tetradecyl ester. Fumaric acid, nonadecyl 3-oxobut-2-yl ester. Fumaric acid, 3-oxobut-2-yl pentadecyl ester. Fumaric acid, decyl 3-oxobut-2-yl ester. Fumaric acid, 3-oxobut-2-yl undecyl ester. Fumaric acid, hexadecyl 3-oxobut-2-yl ester. Fumaric acid, dodecyl 3-oxobut-2-yl ester. Fumaric acid, octadecyl 3-oxobut-2-yl ester. Fumaric acid, 3-oxobut-2-yl tridecyl ester. Fumaric acid, eicosyl 3-oxobut-2-yl ester. Fumaric acid, heptyl 3-oxobut-2-yl ester. Fumaric acid, hexyl 3-oxobut-2-yl ester. Fumaric acid, butyl 3-oxobut-2-yl ester.

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