Chemical Properties of Adipic acid, ethyl 3-methylpentyl ester

Adipic acid, ethyl 3-methylpentyl ester

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InChI
InChI=1S/C14H26O4/c1-4-12(3)10-11-18-14(16)9-7-6-8-13(15)17-5-2/h12H,4-11H2,1-3H3
InChI Key
XPTWTTLZQRJSAX-UHFFFAOYSA-N
Formula
C14H26O4
SMILES
CCOC(=O)CCCCC(=O)OCCC(C)CC
Molecular Weight1
258.35
Sources

Physical Properties

Property Value Unit Source
Δf -403.28 kJ/mol Joback Calculated Property
Δfgas -827.17 kJ/mol Joback Calculated Property
Δfus 34.07 kJ/mol Joback Calculated Property
Δvap 64.68 kJ/mol Joback Calculated Property
logPoct/wat 3.089 Crippen Calculated Property
Pc 1649.77 kPa Joback Calculated Property
Tboil 671.86 K Joback Calculated Property
Tc 850.20 K Joback Calculated Property
Tfus 376.86 K Joback Calculated Property
Vc 0.862 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 622.64 J/mol×K 671.86 Joback Calculated Property
η 0.0001110 Pa×s 671.86 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 8
>C=O (nonring) 2
-CH3 3

Similar Compounds

Adipic acid, hexyl 3-methylpentyl ester. Adipic acid, 3-methylpentyl propyl ester. Adipic acid, butyl 3-methylpentyl ester. Adipic acid, 3-methylpentyl pentyl ester. Adipic acid, di(3-methylpentyl) ester. Adipic acid, heptyl 3-methylpentyl ester. Adipic acid, 3-methylpentyl octyl ester. Adipic acid, heptadecyl 3-methylpentyl ester. Adipic acid, dodecyl 3-methylpentyl ester. Adipic acid, 3-methylpentyl pentadecyl ester. Adipic acid, 3-methylpentyl nonadecyl ester. Adipic acid, hexadecyl 3-methylpentyl ester. Adipic acid, 3-methylpentyl undecyl ester. Adipic acid, 3-methylpentyl nonyl ester. Adipic acid, eicosyl 3-methylpentyl ester.

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