Chemical Properties of Adipic acid, isobutyl pent-4-en-2-yl ester

Adipic acid, isobutyl pent-4-en-2-yl ester

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InChI
InChI=1S/C15H26O4/c1-5-8-13(4)19-15(17)10-7-6-9-14(16)18-11-12(2)3/h5,12-13H,1,6-11H2,2-4H3
InChI Key
BAVPTJDUNMBIIK-UHFFFAOYSA-N
Formula
C15H26O4
SMILES
C=CCC(C)OC(=O)CCCCC(=O)OCC(C)C
Molecular Weight1
270.36
Sources

Physical Properties

Property Value Unit Source
Δf -309.46 kJ/mol Joback Calculated Property
Δfgas -727.66 kJ/mol Joback Calculated Property
Δfus 31.85 kJ/mol Joback Calculated Property
Δvap 65.85 kJ/mol Joback Calculated Property
logPoct/wat 3.25 Crippen Calculated Property
Pc 1589.81 kPa Joback Calculated Property
Tboil 690.98 K Joback Calculated Property
Tc 873.40 K Joback Calculated Property
Tfus 371.37 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 654.33 J/mol×K 690.98 Joback Calculated Property
η 0.00 Pa×s 690.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
=CH2 1
-CH2- 6
=CH- 1
-CH3 3

Similar Compounds

Sebacic acid, isobutyl pent-4-en-2-yl ester. Adipic acid, di(pent-4-en-2-yl) ester. Adipic acid, ethyl pent-4-en-2-yl ester. Adipic acid, butyl pent-4-en-2-yl ester. Adipic acid, hexyl pent-4-en-2-yl ester. Adipic acid, pent-4-en-2-yl pentyl ester. Adipic acid, heptyl pent-4-en-2-yl ester. Adipic acid, pentadecyl pent-4-en-2-yl ester. Adipic acid, nonyl pent-4-en-2-yl ester. Adipic acid, pent-4-en-2-yl tetradecyl ester. Adipic acid, decyl pent-4-en-2-yl ester. Adipic acid, octadecyl pent-4-en-2-yl ester. Adipic acid, heptadecyl pent-4-en-2-yl ester. Adipic acid, dodecyl pent-4-en-2-yl ester. Adipic acid, pent-4-en-2-yl undecyl ester.

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