Chemical Properties of Sebacic acid, hexyl 4-methoxyphenyl ester

Sebacic acid, hexyl 4-methoxyphenyl ester

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InChI
InChI=1S/C23H36O5/c1-3-4-5-12-19-27-22(24)13-10-8-6-7-9-11-14-23(25)28-21-17-15-20(26-2)16-18-21/h15-18H,3-14,19H2,1-2H3
InChI Key
RXGRPQXFFWHCNZ-UHFFFAOYSA-N
Formula
C23H36O5
SMILES
CCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(OC)cc1
Molecular Weight1
392.53
Sources

Physical Properties

Property Value Unit Source
Δf -327.28 kJ/mol Joback Calculated Property
Δfgas -914.81 kJ/mol Joback Calculated Property
Δfus 55.74 kJ/mol Joback Calculated Property
Δvap 90.45 kJ/mol Joback Calculated Property
logPoct/wat 5.84 Crippen Calculated Property
Pc 1085.63 kPa Joback Calculated Property
Tboil 932.30 K Joback Calculated Property
Tc 1142.00 K Joback Calculated Property
Tfus 554.46 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1087.84 J/mol×K 932.3 Joback Calculated Property
η 0.00 Pa×s 932.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 13
-CH3 2

Similar Compounds

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

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