Chemical Properties of Adipic acid, eicosyl 3-methylbutyl ester

Adipic acid, eicosyl 3-methylbutyl ester

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InChI
InChI=1S/C31H60O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-34-30(32)24-21-22-25-31(33)35-28-26-29(2)3/h29H,4-28H2,1-3H3
InChI Key
JMLVINQVOOFRKP-UHFFFAOYSA-N
Formula
C31H60O4
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCC(C)C
Molecular Weight1
496.81
Sources

Physical Properties

Property Value Unit Source
Δf -260.14 kJ/mol Joback Calculated Property
Δfgas -1178.05 kJ/mol Joback Calculated Property
Δfus 78.10 kJ/mol Joback Calculated Property
Δvap 102.52 kJ/mol Joback Calculated Property
logPoct/wat 9.721 Crippen Calculated Property
Pc 596.63 kPa Joback Calculated Property
Tboil 1060.82 K Joback Calculated Property
Tc 1339.85 K Joback Calculated Property
Tfus 568.45 K Joback Calculated Property
Vc 1.813 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1671.04 J/mol×K 1060.82 Joback Calculated Property
η 0.0000088 Pa×s 1060.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 25
>C=O (nonring) 2
-CH3 3

Similar Compounds

Adipic acid, heptadecyl 3-methylbutyl ester. Adipic acid, 3-methylbutyl octadecyl ester. Adipic acid, hexadecyl 3-methylbutyl ester. Adipic acid, 3-methylbutyl pentadecyl ester. Adipic acid, 3-methylbutyl tetradecyl ester. Adipic acid, 3-methylbutyl nonyl ester. Adipic acid, 3-methylbutyl undecyl ester. Adipic acid, 3-methylbutyl tridecyl ester. Adipic acid, 3-methylbutyl nonadecyl ester. Adipic acid, decyl 3-methylbutyl ester. Adipic acid, 3-methylbutyl octyl ester. Adipic acid, dodecyl 3-methylbutyl ester. Adipic acid, heptyl 3-methylbutyl ester. Adipic acid, heptadecyl 3-methylpentyl ester. Adipic acid, 3-methylpentyl octadecyl ester.

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