Chemical Properties of Sebacic acid, neopentyl pentadecyl ester

Sebacic acid, neopentyl pentadecyl ester

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InChI
InChI=1S/C30H58O4/c1-5-6-7-8-9-10-11-12-13-14-17-20-23-26-33-28(31)24-21-18-15-16-19-22-25-29(32)34-27-30(2,3)4/h5-27H2,1-4H3
InChI Key
DSHGVMUDDCQOAI-UHFFFAOYSA-N
Formula
C30H58O4
SMILES
CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(C)(C)C
Molecular Weight1
482.78
Sources

Physical Properties

Property Value Unit Source
Δf -263.28 kJ/mol Joback Calculated Property
Δfgas -1160.88 kJ/mol Joback Calculated Property
Δfus 71.62 kJ/mol Joback Calculated Property
Δvap 99.39 kJ/mol Joback Calculated Property
logPoct/wat 9.33 Crippen Calculated Property
Pc 629.08 kPa Joback Calculated Property
Tboil 1035.15 K Joback Calculated Property
Tc 1291.99 K Joback Calculated Property
Tfus 574.60 K Joback Calculated Property
Vc 1.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1604.78 J/mol×K 1035.15 Joback Calculated Property
η 0.00 Pa×s 1035.15 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH2- 23
>C=O (nonring) 2
>C< 1
-CH3 4

Similar Compounds

Sebacic acid, neopentyl undecyl ester. Sebacic acid, neopentyl pentyl ester. Sebacic acid, neopentyl nonyl ester. Sebacic acid, dodecyl neopentyl ester. Sebacic acid, heptadecyl neopentyl ester. Sebacic acid, heptyl neopentyl ester. Sebacic acid, neopentyl tetradecyl ester. Sebacic acid, neopentyl octyl ester. Sebacic acid, neopentyl tridecyl ester. Sebacic acid, hexadecyl neopentyl ester. Sebacic acid, decyl neopentyl ester. Sebacic acid, isohexyl neopentyl ester. Nonoic acid, neopentyl ester. Sebacic acid, isobutyl neopentyl ester. Sebacic acid, ethyl neopentyl ester.

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