Chemical Properties of Terephthalic acid, isobutyl 2-methylpent-3-yl ester

Terephthalic acid, isobutyl 2-methylpent-3-yl ester

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InChI
InChI=1S/C18H26O4/c1-6-16(13(4)5)22-18(20)15-9-7-14(8-10-15)17(19)21-11-12(2)3/h7-10,12-13,16H,6,11H2,1-5H3
InChI Key
PEZKWXLHNSOVPS-UHFFFAOYSA-N
Formula
C18H26O4
SMILES
CCC(OC(=O)c1ccc(C(=O)OCC(C)C)cc1)C(C)C
Molecular Weight1
306.40
Sources

Physical Properties

Property Value Unit Source
Δf -271.70 kJ/mol Joback Calculated Property
Δfgas -695.23 kJ/mol Joback Calculated Property
Δfus 31.03 kJ/mol Joback Calculated Property
Δvap 75.75 kJ/mol Joback Calculated Property
logPoct/wat 4.091 Crippen Calculated Property
Pc 1582.23 kPa Joback Calculated Property
Tboil 794.16 K Joback Calculated Property
Tc 1001.35 K Joback Calculated Property
Tfus 430.88 K Joback Calculated Property
Vc 0.966 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 762.86 J/mol×K 794.16 Joback Calculated Property
η 0.0000558 Pa×s 794.16 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Terephthalic acid, di(2-methylpent-3-yl) ester. Terephthalic acid, ethyl 2-methylpent-3-yl ester. Terephthalic acid, butyl 2-methylpent-3-yl ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. Terephthalic acid, di(3-methylbut-2-yl) ester. Terephthalic acid, 4,4-dimethylpent-2-yl ethyl ester. Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl ester. Terephthalic acid, 4,4-dimethylpent-2-yl propyl ester. Terephthalic acid, di(4,4-dimethylpent-2-yl) ester. Terephthalic acid, hexyl 2-methylpent-3-yl ester. 4-Methylbenzoic acid, 3-methylbut-2-yl ester. Terephthalic acid, isohexyl 2-methylpent-3-yl ester. Terephthalic acid, heptyl 2-methylpent-3-yl ester. Terephthalic acid, 2-methylhex-3-yl butyl ester. Terephthalic acid, 2-methylpent-3-yl pentadecyl ester.

Find more compounds similar to Terephthalic acid, isobutyl 2-methylpent-3-yl ester.

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