Chemical Properties of Sebacic acid, isohexyl propyl ester

Sebacic acid, isohexyl propyl ester

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InChI
InChI=1S/C19H36O4/c1-4-15-22-18(20)13-9-7-5-6-8-10-14-19(21)23-16-11-12-17(2)3/h17H,4-16H2,1-3H3
InChI Key
REDJEMXRPWYNKV-UHFFFAOYSA-N
Formula
C19H36O4
SMILES
CCCOC(=O)CCCCCCCCC(=O)OCCCC(C)C
Molecular Weight1
328.49
Sources

Physical Properties

Property Value Unit Source
Δf -361.18 kJ/mol Joback Calculated Property
Δfgas -930.37 kJ/mol Joback Calculated Property
Δfus 47.02 kJ/mol Joback Calculated Property
Δvap 75.81 kJ/mol Joback Calculated Property
logPoct/wat 5.04 Crippen Calculated Property
Pc 1155.35 kPa Joback Calculated Property
Tboil 786.26 K Joback Calculated Property
Tc 968.16 K Joback Calculated Property
Tfus 433.21 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 909.39 J/mol×K 786.26 Joback Calculated Property
η 0.00 Pa×s 786.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 13
-CH3 3
>C=O (nonring) 2

Similar Compounds

Sebacic acid, nonyl isohexyl ester. Sebacic acid, dodecyl isohexyl ester. Sebacic acid, decyl isohexyl ester. Sebacic acid, ethyl isohexyl ester. Sebacic acid, butyl isohexyl ester. Sebacic acid, hexyl isohexyl ester. Sebacic acid, heptyl isohexyl ester. Sebacic acid, diisohexyl ester. Sebacic acid, isohexyl tetradecyl ester. Sebacic acid, isohexyl undecyl ester. Sebacic acid, isohexyl octyl ester. Nonanoic acid, isohexyl ester. Sebacic acid, isohexyl pentadecyl ester. Sebacic acid, isohexyl pentyl ester. 4-Methylpentyl 8-methylnonanoate.

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