Chemical Properties of Fumaric acid, 2-ethylphenyl isobutyl ester

Fumaric acid, 2-ethylphenyl isobutyl ester

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InChI
InChI=1S/C16H20O4/c1-4-13-7-5-6-8-14(13)20-16(18)10-9-15(17)19-11-12(2)3/h5-10,12H,4,11H2,1-3H3/b10-9+
InChI Key
KOGVAGQWEJCZMU-MDZDMXLPSA-N
Formula
C16H20O4
SMILES
CCc1ccccc1OC(=O)C=CC(=O)OCC(C)C
Molecular Weight1
276.33
Sources

Physical Properties

Property Value Unit Source
Δf -203.44 kJ/mol Joback Calculated Property
Δfgas -526.17 kJ/mol Joback Calculated Property
Δfus 33.10 kJ/mol Joback Calculated Property
Δvap 72.03 kJ/mol Joback Calculated Property
logPoct/wat 2.91 Crippen Calculated Property
Pc 1913.58 kPa Joback Calculated Property
Tboil 753.44 K Joback Calculated Property
Tc 964.70 K Joback Calculated Property
Tfus 433.26 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 624.51 J/mol×K 753.44 Joback Calculated Property
η 0.00 Pa×s 753.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, butyl 2-ethylphenyl ester. Fumaric acid, isobutyl 2-propylphenyl ester. Fumaric acid, 2-ethylphenyl isohexyl ester. Fumaric acid, propyl 2-propylphenyl ester. Fumaric acid, butyl 2-propylphenyl ester. Fumaric acid, ethyl 2-propylphenyl ester. Fumaric acid, pentyl 2-propylphenyl ester. Fumaric acid, 2-isopropylphenyl 2-methylpent-3-yl ester. Fumaric acid, isohexyl 2-propylphenyl ester. Fumaric acid, hexyl 2-propylphenyl ester. Fumaric acid, 2-isopropylphenyl 2-ethylhexyl ester. Fumaric acid, di(2-ethylphenyl) ester. Fumaric acid, 2-isopropylphenyl 8-chlorooctyl ester. Fumaric acid, 2-isopropylphenyl dodec-2-en-1-yl ester. Fumaric acid, di(2-propylphenyl) ester.

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