Chemical Properties of Sebacic acid, butyl 3-heptyl ester

Sebacic acid, butyl 3-heptyl ester

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InChI
InChI=1S/C21H40O4/c1-4-7-15-19(6-3)25-21(23)17-14-12-10-9-11-13-16-20(22)24-18-8-5-2/h19H,4-18H2,1-3H3
InChI Key
CWTBOFJXSCDRCE-UHFFFAOYSA-N
Formula
C21H40O4
SMILES
CCCCOC(=O)CCCCCCCCC(=O)OC(CC)CCCC
Molecular Weight1
356.54
Sources

Physical Properties

Property Value Unit Source
Δf -344.34 kJ/mol Joback Calculated Property
Δfgas -971.65 kJ/mol Joback Calculated Property
Δfus 52.20 kJ/mol Joback Calculated Property
Δvap 80.26 kJ/mol Joback Calculated Property
logPoct/wat 5.96 Crippen Calculated Property
Pc 1018.13 kPa Joback Calculated Property
Tboil 832.02 K Joback Calculated Property
Tc 1019.80 K Joback Calculated Property
Tfus 455.75 K Joback Calculated Property
Vc 1.25 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1030.73 J/mol×K 832.02 Joback Calculated Property
η 0.00 Pa×s 832.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 15
>C=O (nonring) 2
-CH3 3

Similar Compounds

Sebacic acid, dodecyl 3-heptyl ester. Sebacic acid, 4-octyl tetradecyl ester. Pimelic acid, 4-octyl tridecyl ester. Pimelic acid, 4-octyl tetradecyl ester. Sebacic acid, 3-heptyl octyl ester. Sebacic acid, di(3-heptyl) ester. Sebacic acid, 3-heptyl tridecyl ester. Pimelic acid, nonyl 4-octyl ester. Sebacic acid, 3-heptyl tetradecyl ester. Sebacic acid, 3-heptyl undecyl ester. Sebacic acid, 4-octyl tridecyl ester. Pimelic acid, heptadecyl 4-octyl ester. Sebacic acid, heptyl 3-heptyl ester. di-(1-Ethylpentyl)suberate. Sebacic acid, heptyl 4-octyl ester.

Find more compounds similar to Sebacic acid, butyl 3-heptyl ester.

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