Chemical Properties of Adipic acid, hexadecyl 3-methylbut-3-enyl ester

Adipic acid, hexadecyl 3-methylbut-3-enyl ester

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InChI
InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-30-26(28)20-17-18-21-27(29)31-24-22-25(2)3/h2,4-24H2,1,3H3
InChI Key
SDFPDUFSVHHLLE-UHFFFAOYSA-N
Formula
C27H50O4
SMILES
C=C(C)CCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCC
Molecular Weight1
438.68
Sources

Physical Properties

Property Value Unit Source
Δf -212.09 kJ/mol Joback Calculated Property
Δfgas -974.57 kJ/mol Joback Calculated Property
Δfus 68.67 kJ/mol Joback Calculated Property
Δvap 93.42 kJ/mol Joback Calculated Property
logPoct/wat 8.08 Crippen Calculated Property
Pc 742.05 kPa Joback Calculated Property
Tboil 966.30 K Joback Calculated Property
Tc 1191.27 K Joback Calculated Property
Tfus 522.65 K Joback Calculated Property
Vc 1.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1379.32 J/mol×K 966.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 1
>C=O (nonring) 2
=CH2 1
-CH2- 21
-CH3 2

Similar Compounds

Adipic acid, 3-methylbut-3-enyl nonyl ester. Adipic acid, 3-methylbut-3-enyl octadecyl ester. Adipic acid, decyl 3-methylbut-3-enyl ester. Adipic acid, 3-methylbut-3-enyl tridecyl ester. Adipic acid, 3-methylbut-3-enyl undecyl ester. Adipic acid, 3-methylbut-3-enyl tetradecyl ester. Adipic acid, 3-methylbut-3-enyl pentadecyl ester. Adipic acid, dodecyl 3-methylbut-3-enyl ester. Adipic acid, 3-methylbut-3-enyl octyl ester. Adipic acid, heptadecyl 3-methylbut-3-enyl ester. Adipic acid, heptyl 3-methylbut-3-enyl ester. Adipic acid, hexyl 3-methylbut-3-enyl ester. Adipic acid, 3-methylbut-3-enyl pentyl ester. Sebacic acid, 3-methylbut-3-enyl tetradecyl ester. Sebacic acid, 3-methylbut-3-enyl nonyl ester.

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