Chemical Properties of Sebacic acid, butyl 4-formylphenyl ester

Sebacic acid, butyl 4-formylphenyl ester

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InChI
InChI=1S/C21H30O5/c1-2-3-16-25-20(23)10-8-6-4-5-7-9-11-21(24)26-19-14-12-18(17-22)13-15-19/h12-15,17H,2-11,16H2,1H3
InChI Key
QKOUCWXVAUQWLG-UHFFFAOYSA-N
Formula
C21H30O5
SMILES
CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C=O)cc1
Molecular Weight1
362.46
Sources

Physical Properties

Property Value Unit Source
Δf -338.64 kJ/mol Joback Calculated Property
Δfgas -826.89 kJ/mol Joback Calculated Property
Δfus 51.66 kJ/mol Joback Calculated Property
Δvap 90.31 kJ/mol Joback Calculated Property
logPoct/wat 4.87 Crippen Calculated Property
Pc 1320.39 kPa Joback Calculated Property
Tboil 912.78 K Joback Calculated Property
Tc 1121.15 K Joback Calculated Property
Tfus 551.69 K Joback Calculated Property
Vc 1.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 952.82 J/mol×K 912.78 Joback Calculated Property
η 0.00 Pa×s 912.78 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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

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