Chemical Properties of Fumaric acid, ethyl 4-methylpent-2-yl ester

Fumaric acid, ethyl 4-methylpent-2-yl ester

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InChI
InChI=1S/C12H20O4/c1-5-15-11(13)6-7-12(14)16-10(4)8-9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+
InChI Key
JAZFCTLILMMPCA-VOTSOKGWSA-N
Formula
C12H20O4
SMILES
CCOC(=O)C=CC(=O)OC(C)CC(C)C
Molecular Weight1
228.28
Sources

Physical Properties

Property Value Unit Source
Δf -342.34 kJ/mol Joback Calculated Property
Δfgas -673.95 kJ/mol Joback Calculated Property
Δfus 25.57 kJ/mol Joback Calculated Property
Δvap 59.80 kJ/mol Joback Calculated Property
logPoct/wat 2.08 Crippen Calculated Property
Pc 2047.46 kPa Joback Calculated Property
Tboil 629.82 K Joback Calculated Property
Tc 819.69 K Joback Calculated Property
Tfus 334.24 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 495.92 J/mol×K 629.82 Joback Calculated Property
η 0.00 Pa×s 629.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 2
-CH3 4
-CH2- 2
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, di(4-methylpent-2-yl) ester. Fumaric acid, butyl 4-methylpent-2-yl ester. Fumaric acid, 4-methylpent-2-yl pentyl ester. Fumaric acid, isohexyl 4-methylpent-2-yl ester. Fumaric acid, hexyl 4-methylpent-2-yl ester. Fumaric acid, heptyl 4-methylpent-2-yl ester. Fumaric acid, 4-methylpent-2-yl tetradecyl ester. Fumaric acid, dodecyl 4-methylpent-2-yl ester. Fumaric acid, 4-methylpent-2-yl tridecyl ester. Fumaric acid, 4-methylpent-2-yl octadecyl ester. Fumaric acid, 4-methylpent-2-yl undecyl ester. Fumaric acid, decyl 4-methylpent-2-yl ester. Fumaric acid, 4-methylpent-2-yl nonyl ester. Fumaric acid, hexadecyl 4-methylpent-2-yl ester. Fumaric acid, 4-methylpent-2-yl pentadecyl ester.

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