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

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

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InChI
InChI=1S/C20H30O4/c1-7-17(13(3)4)23-19(21)15-9-11-16(12-10-15)20(22)24-18(8-2)14(5)6/h9-14,17-18H,7-8H2,1-6H3
InChI Key
NJBDOINDJMEHLD-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCC(OC(=O)c1ccc(C(=O)OC(CC)C(C)C)cc1)C(C)C
Molecular Weight1
334.45
Sources

Physical Properties

Property Value Unit Source
Δf -257.30 kJ/mol Joback Calculated Property
Δfgas -741.79 kJ/mol Joback Calculated Property
Δfus 32.69 kJ/mol Joback Calculated Property
Δvap 79.81 kJ/mol Joback Calculated Property
logPoct/wat 4.87 Crippen Calculated Property
Pc 1373.78 kPa Joback Calculated Property
Tboil 839.48 K Joback Calculated Property
Tc 1047.32 K Joback Calculated Property
Tfus 438.42 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 879.79 J/mol×K 839.48 Joback Calculated Property
η 0.00 Pa×s 839.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 4
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-CH3 6

Similar Compounds

Terephthalic acid, isobutyl 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.

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