Chemical Properties of Sebacic acid, isobutyl 2-methylpent-3-yl ester

Sebacic acid, isobutyl 2-methylpent-3-yl ester

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InChI
InChI=1S/C20H38O4/c1-6-18(17(4)5)24-20(22)14-12-10-8-7-9-11-13-19(21)23-15-16(2)3/h16-18H,6-15H2,1-5H3
InChI Key
MZBIQQBVTBBFCC-UHFFFAOYSA-N
Formula
C20H38O4
SMILES
CCC(OC(=O)CCCCCCCCC(=O)OCC(C)C)C(C)C
Molecular Weight1
342.51
Sources

Physical Properties

Property Value Unit Source
Δf -357.64 kJ/mol Joback Calculated Property
Δfgas -961.57 kJ/mol Joback Calculated Property
Δfus 42.56 kJ/mol Joback Calculated Property
Δvap 77.26 kJ/mol Joback Calculated Property
logPoct/wat 5.28 Crippen Calculated Property
Pc 1094.99 kPa Joback Calculated Property
Tboil 808.26 K Joback Calculated Property
Tc 994.56 K Joback Calculated Property
Tfus 414.48 K Joback Calculated Property
Vc 1.19 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 970.62 J/mol×K 808.26 Joback Calculated Property
η 0.00 Pa×s 808.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 2
-CH2- 10
>C=O (nonring) 2
-CH3 5

Similar Compounds

Sebacic acid, 2-methylpent-3-yl propyl ester. Sebacic acid, di(2-methylpent-3-yl) ester. Sebacic acid, 2,4-dimethylpent-3-yl propyl ester. Sebacic acid, di(2,4-dimethylpent-3-yl) ester. Sebacic acid, 2,4-dimethylpent-3-yl isobutyl ester. Sebacic acid, butyl 2-methylpent-3-yl ester. Sebacic acid, 2-methylpent-3-yl undecyl ester. Sebacic acid, 2-methylpent-3-yl nonyl ester. Sebacic acid, 2-methylpent-3-yl tetradecyl ester. Sebacic acid, hexyl 2-methylpent-3-yl ester. Sebacic acid, dodecyl 2-methylpent-3-yl ester. Sebacic acid, 2-methylpent-3-yl pentyl ester. Sebacic acid, 2-methylpent-3-yl pentadecyl ester. Sebacic acid, 2-methylpent-3-yl tridecyl ester. Sebacic acid, decyl 2-methylpent-3-yl ester.

Find more compounds similar to Sebacic acid, isobutyl 2-methylpent-3-yl ester.

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