Chemical Properties of Terephthalic acid, isohexyl 4-methylpent-2-yl ester

Terephthalic acid, isohexyl 4-methylpent-2-yl ester

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InChI
InChI=1S/C20H30O4/c1-14(2)7-6-12-23-19(21)17-8-10-18(11-9-17)20(22)24-16(5)13-15(3)4/h8-11,14-16H,6-7,12-13H2,1-5H3
InChI Key
FEWOXHDSBQDEGF-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CC(C)CCCOC(=O)c1ccc(C(=O)OC(C)CC(C)C)cc1
Molecular Weight1
334.45
Sources

Physical Properties

Property Value Unit Source
Δf -254.86 kJ/mol Joback Calculated Property
Δfgas -736.51 kJ/mol Joback Calculated Property
Δfus 36.21 kJ/mol Joback Calculated Property
Δvap 80.20 kJ/mol Joback Calculated Property
logPoct/wat 4.87 Crippen Calculated Property
Pc 1365.67 kPa Joback Calculated Property
Tboil 839.92 K Joback Calculated Property
Tc 1045.58 K Joback Calculated Property
Tfus 453.42 K Joback Calculated Property
Vc 1.08 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 879.27 J/mol×K 839.92 Joback Calculated Property
η 0.00 Pa×s 839.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 2
-CH3 5
=CH- (ring) 4
=C< (ring) 2
-CH2- 4
>C=O (nonring) 2

Similar Compounds

Terephthalic acid, 4-methylpent-2-yl pentyl ester. Terephthalic acid, hexyl 4-methylpent-2-yl ester. Terephthalic acid, heptyl 4-methylpent-2-yl ester. Terephthalic acid, 4-methylpent-2-yl octyl ester. Terephthalic acid, heptadecyl 4-methylpent-2-yl ester. Terephthalic acid, 4-methylpent-2-yl nonyl ester. Terephthalic acid, 4-methylpent-2-yl tetradecyl ester. Terephthalic acid, 4-methylpent-2-yl octadecyl ester. Terephthalic acid, hexadecyl 4-methylpent-2-yl ester. Terephthalic acid, 4-methylpent-2-yl pentadecyl ester. Terephthalic acid, 4-methylpent-2-yl propyl ester. Terephthalic acid, ethyl 4-methylpent-2-yl ester. Terephthalic acid, butyl 4-methylpent-2-yl ester. Terephthalic acid, di(4-methylpent-2-yl) ester. Terephthalic acid, 4,4-dimethylpent-2-yl pentyl ester.

Find more compounds similar to Terephthalic acid, isohexyl 4-methylpent-2-yl ester.

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