Chemical Properties of Fumaric acid, heptyl 2-methylpentyl ester

Fumaric acid, heptyl 2-methylpentyl ester

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InChI
InChI=1S/C17H30O4/c1-4-6-7-8-9-13-20-16(18)11-12-17(19)21-14-15(3)10-5-2/h11-12,15H,4-10,13-14H2,1-3H3/b12-11+
InChI Key
ODNOMTBXFJOGNC-VAWYXSNFSA-N
Formula
C17H30O4
SMILES
CCCCCCCOC(=O)C=CC(=O)OCC(C)CCC
Molecular Weight1
298.42
Sources

Physical Properties

Property Value Unit Source
Δf -297.80 kJ/mol Joback Calculated Property
Δfgas -771.87 kJ/mol Joback Calculated Property
Δfus 42.04 kJ/mol Joback Calculated Property
Δvap 71.32 kJ/mol Joback Calculated Property
logPoct/wat 4.04 Crippen Calculated Property
Pc 1373.78 kPa Joback Calculated Property
Tboil 744.66 K Joback Calculated Property
Tc 927.57 K Joback Calculated Property
Tfus 405.59 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 767.78 J/mol×K 744.66 Joback Calculated Property
η 0.00 Pa×s 744.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
-CH2- 9
=CH- 2
-CH3 3

Similar Compounds

Fumaric acid, dodecyl 2-methylpentyl ester. Fumaric acid, 2-methylpentyl nonadecyl ester. Fumaric acid, heptadecyl 2-methylpentyl ester. Fumaric acid, 2-methylpentyl tetradecyl ester. Fumaric acid, 2-methylpentyl undecyl ester. Fumaric acid, 2-methylpentyl octadecyl ester. Fumaric acid, 2-methylpentyl pentadecyl ester. Fumaric acid, eicosyl 2-methylpentyl ester. Fumaric acid, hexadecyl 2-methylpentyl ester. Fumaric acid, 2-methylpentyl octyl ester. Fumaric acid, 2-methylpentyl tridecyl ester. Fumaric acid, decyl 2-methylpentyl ester. Fumaric acid, hexyl 2-methylpentyl ester. Fumaric acid, 2-methylpentyl pentyl ester. Fumaric acid, isobutyl 2-methylpentyl ester.

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