Chemical Properties of Adipic acid, di-p-tolyl ester (CAS 5538-18-1)

Adipic acid, di-p-tolyl ester

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InChI
InChI=1S/C20H22O4/c1-15-7-11-17(12-8-15)23-19(21)5-3-4-6-20(22)24-18-13-9-16(2)10-14-18/h7-14H,3-6H2,1-2H3
InChI Key
JHAPQVJQYVKFCS-UHFFFAOYSA-N
Formula
C20H22O4
SMILES
Cc1ccc(OC(=O)CCCCC(=O)Oc2ccc(C)cc2)cc1
Molecular Weight1
326.39
CAS
5538-18-1
Sources

Physical Properties

Property Value Unit Source
Δf -144.76 kJ/mol Joback Calculated Property
Δfgas -495.61 kJ/mol Joback Calculated Property
Δfus 40.43 kJ/mol Joback Calculated Property
Δvap 84.30 kJ/mol Joback Calculated Property
logPoct/wat 4.37 Crippen Calculated Property
Pc 1716.03 kPa Joback Calculated Property
Tboil 872.90 K Joback Calculated Property
Tc 1097.43 K Joback Calculated Property
Tfus 537.36 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 780.36 J/mol×K 872.9 Joback Calculated Property
η 0.00 Pa×s 872.9 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Para-tolyl octanoate. Pimelic acid, di(4-formylphenyl) ester. Octanoic acid, 4-cyanophenyl ester. Valeric acid, 4-cyanophenyl ester. 6-Bromohexanoic acid, 4-cyanophenyl ester. p-Cresyl isovalerate. Adipic acid, diphenyl ester. Sebacic acid, di(4-isopropylphenyl) ester. 5-Bromovaleric acid, 4-cyanophenyl ester. Glutaric acid, di(4-cyanophenyl) ester. 5-Chlorovaleric acid, 4-cyanophenyl ester. Hexanoic acid, phenyl ester. Butyric acid, ester with p-hydroxybenzonitrile. p-Butyryloxybenzaldehyde. 3-Cyclopentylpropionic acid, 4-cyanophenyl ester.

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