Chemical Properties of Sebacic acid, 4-acetylphenyl butyl ester

Sebacic acid, 4-acetylphenyl butyl ester

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InChI
InChI=1S/C22H32O5/c1-3-4-17-26-21(24)11-9-7-5-6-8-10-12-22(25)27-20-15-13-19(14-16-20)18(2)23/h13-16H,3-12,17H2,1-2H3
InChI Key
UQBUNXCADRGERN-UHFFFAOYSA-N
Formula
C22H32O5
SMILES
CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C(C)=O)cc1
Molecular Weight1
376.49
Sources

Physical Properties

Property Value Unit Source
Δf -359.62 kJ/mol Joback Calculated Property
Δfgas -874.53 kJ/mol Joback Calculated Property
Δfus 53.56 kJ/mol Joback Calculated Property
Δvap 92.56 kJ/mol Joback Calculated Property
logPoct/wat 5.26 Crippen Calculated Property
Pc 1223.41 kPa Joback Calculated Property
Tboil 940.87 K Joback Calculated Property
Tc 1153.86 K Joback Calculated Property
Tfus 570.89 K Joback Calculated Property
Vc 1.21 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1013.10 J/mol×K 940.87 Joback Calculated Property
η 0.00 Pa×s 940.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
-CH3 2

Similar Compounds

Sebacic acid, 4-acetylphenyl heptyl ester. Sebacic acid, 4-acetylphenyl octyl ester. Sebacic acid, 4-acetylphenyl hexyl ester. Sebacic acid, 4-acetylphenyl pentyl ester. Sebacic acid, 4-acetylphenyl nonyl ester. Sebacic acid, 4-acetylphenyl propyl ester. Sebacic acid, 4-acetylphenyl ethyl ester. Sebacic acid, 4-acetylphenyl isohexyl ester. Sebacic acid, 4-acetylphenyl isobutyl ester. Glutaric acid, 4-acetylphenyl tetradecyl ester. Glutaric acid, 4-acetylphenyl dodecyl ester. Glutaric acid, 4-acetylphenyl nonyl ester. Glutaric acid, 4-acetylphenyl heptyl ester. Glutaric acid, 4-acetylphenyl decyl ester. Glutaric acid, 4-acetylphenyl octyl ester.

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