Chemical Properties of Terephthalic acid, di(3-methylbut-2-yl) ester

Terephthalic acid, di(3-methylbut-2-yl) ester

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InChI
InChI=1S/C18H26O4/c1-11(2)13(5)21-17(19)15-7-9-16(10-8-15)18(20)22-14(6)12(3)4/h7-14H,1-6H3
InChI Key
IJLDTTKUGDCXNJ-UHFFFAOYSA-N
Formula
C18H26O4
SMILES
CC(C)C(C)OC(=O)c1ccc(C(=O)OC(C)C(C)C)cc1
Molecular Weight1
306.40
Sources

Physical Properties

Property Value Unit Source
Δf -274.14 kJ/mol Joback Calculated Property
Δfgas -700.51 kJ/mol Joback Calculated Property
Δfus 27.51 kJ/mol Joback Calculated Property
Δvap 75.36 kJ/mol Joback Calculated Property
logPoct/wat 4.089 Crippen Calculated Property
Pc 1592.35 kPa Joback Calculated Property
Tboil 793.72 K Joback Calculated Property
Tc 1003.71 K Joback Calculated Property
Tfus 415.88 K Joback Calculated Property
Vc 0.960 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 763.39 J/mol×K 793.72 Joback Calculated Property
η 0.0000513 Pa×s 793.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 4
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH3 6

Similar Compounds

Terephthalic acid, isobutyl 3-methylbut-2-yl ester. 4-Methylbenzoic acid, 3-methylbut-2-yl ester. Terephthalic acid, di(2-methylpent-3-yl) ester. Terephthalic acid, isobutyl 2-methylpent-3-yl ester. Terephthalic acid, ethyl 2-methylpent-3-yl ester. Terephthalic acid, 3-methylbut-2-yl pentyl ester. Terephthalic acid, hexyl 3-methylbut-2-yl ester. Terephthalic acid, butyl 2-methylpent-3-yl ester. Terephthalic acid, heptyl 3-methylbut-2-yl ester. Terephthalic acid, dodecyl 3-methylbut-2-yl ester. Terephthalic acid, 3-methylbut-2-yl tridecyl ester. Terephthalic acid, 3-methylbut-2-yl undecyl ester. Terephthalic acid, 3-methylbut-2-yl pentadecyl ester. Terephthalic acid, 3-methylbut-2-yl tetradecyl ester. Terephthalic acid, decyl 3-methylbut-2-yl ester.

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