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

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

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InChI
InChI=1S/C12H18O5/c1-4-5-8-16-11(14)6-7-12(15)17-10(3)9(2)13/h6-7,10H,4-5,8H2,1-3H3/b7-6+
InChI Key
NINYMJGCDLFJIG-VOTSOKGWSA-N
Formula
C12H18O5
SMILES
CCCCOC(=O)C=CC(=O)OC(C)C(C)=O
Molecular Weight1
242.27
Sources

Physical Properties

Property Value Unit Source
Δf -468.82 kJ/mol Joback Calculated Property
Δfgas -781.25 kJ/mol Joback Calculated Property
Δfus 30.69 kJ/mol Joback Calculated Property
Δvap 66.93 kJ/mol Joback Calculated Property
logPoct/wat 1.41 Crippen Calculated Property
Pc 2153.30 kPa Joback Calculated Property
Tboil 684.13 K Joback Calculated Property
Tc 877.89 K Joback Calculated Property
Tfus 399.17 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 513.95 J/mol×K 684.13 Joback Calculated Property
η 0.00 Pa×s 684.13 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Fumaric acid, butyl 3-oxobut-2-yl ester.

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