Chemical Properties of Sebacic acid, 4-isopropoxyphenyl octyl ester

Sebacic acid, 4-isopropoxyphenyl octyl ester

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InChI
InChI=1S/C27H44O5/c1-4-5-6-7-12-15-22-30-26(28)16-13-10-8-9-11-14-17-27(29)32-25-20-18-24(19-21-25)31-23(2)3/h18-21,23H,4-17,22H2,1-3H3
InChI Key
CLZGBVUUHDUPSZ-UHFFFAOYSA-N
Formula
C27H44O5
SMILES
CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(OC(C)C)cc1
Molecular Weight1
448.64
Sources

Physical Properties

Property Value Unit Source
Δf -296.04 kJ/mol Joback Calculated Property
Δfgas -1002.65 kJ/mol Joback Calculated Property
Δfus 62.58 kJ/mol Joback Calculated Property
Δvap 98.97 kJ/mol Joback Calculated Property
logPoct/wat 7.40 Crippen Calculated Property
Pc 859.48 kPa Joback Calculated Property
Tboil 1023.38 K Joback Calculated Property
Tc 1256.37 K Joback Calculated Property
Tfus 584.54 K Joback Calculated Property
Vc 1.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1335.89 J/mol×K 1023.38 Joback Calculated Property
η 0.00 Pa×s 1023.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 15
>C=O (nonring) 2

Similar Compounds

Sebacic acid, 4-isopropoxyphenyl nonyl ester. Sebacic acid, heptyl 4-isopropoxyphenyl ester. Sebacic acid, hexyl 4-isopropoxyphenyl ester. Sebacic acid, 4-isopropoxyphenyl pentyl ester. Sebacic acid, 4-isopropoxyphenyl undecyl ester. Sebacic acid, butyl 4-isopropoxyphenyl ester. Sebacic acid, 4-isopropoxyphenyl propyl ester. Sebacic acid, ethyl 4-isopropoxyphenyl ester. Sebacic acid, isohexyl 4-isopropoxyphenyl ester. Sebacic acid, 4-methoxyphenyl nonyl ester. Sebacic acid, decyl 4-methoxyphenyl ester. Sebacic acid, 4-methoxyphenyl pentyl ester. Sebacic acid, heptyl 4-methoxyphenyl ester. Sebacic acid, hexyl 4-methoxyphenyl ester. Sebacic acid, 4-methoxyphenyl undecyl ester.

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