Chemical Properties of Sebacic acid, 4-formylphenyl isohexyl ester

Sebacic acid, 4-formylphenyl isohexyl ester

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InChI
InChI=1S/C23H34O5/c1-19(2)10-9-17-27-22(25)11-7-5-3-4-6-8-12-23(26)28-21-15-13-20(18-24)14-16-21/h13-16,18-19H,3-12,17H2,1-2H3
InChI Key
HARORJGQTQDJOB-UHFFFAOYSA-N
Formula
C23H34O5
SMILES
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C=O)cc1
Molecular Weight1
390.51
Sources

Physical Properties

Property Value Unit Source
Δf -324.24 kJ/mol Joback Calculated Property
Δfgas -873.45 kJ/mol Joback Calculated Property
Δfus 53.32 kJ/mol Joback Calculated Property
Δvap 94.37 kJ/mol Joback Calculated Property
logPoct/wat 5.50 Crippen Calculated Property
Pc 1160.08 kPa Joback Calculated Property
Tboil 958.10 K Joback Calculated Property
Tc 1173.62 K Joback Calculated Property
Tfus 559.23 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1073.42 J/mol×K 958.1 Joback Calculated Property
η 0.00 Pa×s 958.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
O=CH- (aldehyde) 1
-CH3 2

Similar Compounds

Pimelic acid, 4-formylphenyl pentyl ester. Sebacic acid, 4-formylphenyl pentyl ester. Sebacic acid, decyl 4-formylphenyl ester. Pimelic acid, 4-formylphenyl heptyl ester. Sebacic acid, 4-formylphenyl octyl ester. Pimelic acid, decyl 4-formylphenyl ester. Sebacic acid, 4-formylphenyl heptyl ester. Sebacic acid, 4-formylphenyl nonyl ester. Pimelic acid, 4-formylphenyl hexyl ester. Pimelic acid, 4-formylphenyl octyl ester. Sebacic acid, 4-formylphenyl hexyl ester. Pimelic acid, butyl 4-formylphenyl ester. Sebacic acid, butyl 4-formylphenyl ester. Pimelic acid, 4-formylphenyl propyl ester. Sebacic acid, 4-formylphenyl propyl ester.

Find more compounds similar to Sebacic acid, 4-formylphenyl isohexyl ester.

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