Chemical Properties of Sebacic acid, di(3-methylphenyl) ester

Sebacic acid, di(3-methylphenyl) ester

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InChI
InChI=1S/C24H30O4/c1-19-11-9-13-21(17-19)27-23(25)15-7-5-3-4-6-8-16-24(26)28-22-14-10-12-20(2)18-22/h9-14,17-18H,3-8,15-16H2,1-2H3
InChI Key
YTAKMMTYCZAQRC-UHFFFAOYSA-N
Formula
C24H30O4
SMILES
Cc1cccc(OC(=O)CCCCCCCCC(=O)Oc2cccc(C)c2)c1
Molecular Weight1
382.49
Sources

Physical Properties

Property Value Unit Source
Δf -111.08 kJ/mol Joback Calculated Property
Δfgas -578.17 kJ/mol Joback Calculated Property
Δfus 50.79 kJ/mol Joback Calculated Property
Δvap 93.21 kJ/mol Joback Calculated Property
logPoct/wat 5.94 Crippen Calculated Property
Pc 1277.33 kPa Joback Calculated Property
Tboil 964.42 K Joback Calculated Property
Tc 1187.99 K Joback Calculated Property
Tfus 582.44 K Joback Calculated Property
Vc 1.21 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1015.71 J/mol×K 964.42 Joback Calculated Property
η 0.00 Pa×s 964.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 8
=C< (ring) 4
-CH2- 8
-CH3 2

Similar Compounds

Octanoic acid, 3-methylphenyl ester. Nonoic acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester. Valeric acid, 3-methylphenyl ester. Sebacic acid, di(3,5-dimethylphenyl) ester. Octanoic acid, 3,5-dimethylphenyl ester. Lauric acid, 3,5-dimethylphenyl ester. 6-Chlorohexanoic acid, 3-methylphenyl ester. 3-Cyclopentylpropionic acid, 3-methylphenyl ester. 5-Bromovaleric acid, 3-methylphenyl ester. Glutaric acid, di(3-methylphenyl) ester. Sebacic acid, ethyl 3-methylphenyl ester. Butanoic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. Sebacic acid, di(3-ethylphenyl) ester.

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