Chemical Properties of Terephthalic acid, butyl 2-heptyl ester

Terephthalic acid, butyl 2-heptyl ester

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InChI
InChI=1S/C19H28O4/c1-4-6-8-9-15(3)23-19(21)17-12-10-16(11-13-17)18(20)22-14-7-5-2/h10-13,15H,4-9,14H2,1-3H3
InChI Key
BAHGPUOYTNXPIP-UHFFFAOYSA-N
Formula
C19H28O4
SMILES
CCCCCC(C)OC(=O)c1ccc(C(=O)OCCCC)cc1
Molecular Weight1
320.42
Sources

Physical Properties

Property Value Unit Source
Δf -258.40 kJ/mol Joback Calculated Property
Δfgas -705.31 kJ/mol Joback Calculated Property
Δfus 40.67 kJ/mol Joback Calculated Property
Δvap 78.75 kJ/mol Joback Calculated Property
logPoct/wat 4.77 Crippen Calculated Property
Pc 1450.14 kPa Joback Calculated Property
Tboil 817.92 K Joback Calculated Property
Tc 1019.49 K Joback Calculated Property
Tfus 472.15 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 819.59 J/mol×K 817.92 Joback Calculated Property
η 0.00 Pa×s 817.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 7
-CH3 3

Similar Compounds

Terephthalic acid, 2-heptyl pentyl ester. Terephthalic acid, 2-heptyl propyl ester. Terephthalic acid, ethyl 2-heptyl ester. Terephthalic acid, heptyl 2-heptyl ester. Terephthalic acid, 2-decyl ethyl ester. Terephthalic acid, 2-heptyl tridecyl ester. Terephthalic acid, 2-heptyl tetradecyl ester. Terephthalic acid, butyl 2-decyl ester. Terephthalic acid, 2-heptyl octyl ester. Terephthalic acid, 2-decyl heptyl ester. Terephthalic acid, decyl 2-heptyl ester. Terephthalic acid, 2-decyl nonyl ester. Terephthalic acid, 2-decyl tridecyl ester. Terephthalic acid, 2-heptyl hexadecyl ester. Terephthalic acid, 2-decyl octyl ester.

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