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

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

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InChI
InChI=1S/C15H24O5/c1-4-5-6-7-8-11-19-14(17)9-10-15(18)20-13(3)12(2)16/h9-10,13H,4-8,11H2,1-3H3/b10-9+
InChI Key
LZRBSRFCMYHGGG-MDZDMXLPSA-N
Formula
C15H24O5
SMILES
CCCCCCCOC(=O)C=CC(=O)OC(C)C(C)=O
Molecular Weight1
284.35
Sources

Physical Properties

Property Value Unit Source
Δf -443.56 kJ/mol Joback Calculated Property
Δfgas -843.17 kJ/mol Joback Calculated Property
Δfus 38.46 kJ/mol Joback Calculated Property
Δvap 73.61 kJ/mol Joback Calculated Property
logPoct/wat 2.58 Crippen Calculated Property
Pc 1675.53 kPa Joback Calculated Property
Tboil 752.77 K Joback Calculated Property
Tc 943.28 K Joback Calculated Property
Tfus 432.98 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 675.61 J/mol×K 752.77 Joback Calculated Property
η 0.00 Pa×s 752.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 3
-CH2- 6
=CH- 2
>C=O (nonring) 3

Similar Compounds

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