Chemical Properties of Terephthalic acid, heptyl-3 pentyl ester

Terephthalic acid, heptyl-3 pentyl ester

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InChI
InChI=1S/C20H30O4/c1-4-7-9-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18(6-3)10-8-5-2/h11-14,18H,4-10,15H2,1-3H3
InChI Key
UCDWXWLWYVFTMB-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCCCCOC(=O)c1ccc(C(=O)OC(CC)CCCC)cc1
Molecular Weight1
334.45
Other Names
  • Terephthalic acid, heptyl-3 pentyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -249.98 kJ/mol Joback Calculated Property
Δfgas -725.95 kJ/mol Joback Calculated Property
Δfus 43.26 kJ/mol Joback Calculated Property
Δvap 80.98 kJ/mol Joback Calculated Property
logPoct/wat 5.16 Crippen Calculated Property
Pc 1349.66 kPa Joback Calculated Property
Tboil 840.80 K Joback Calculated Property
Tc 1042.55 K Joback Calculated Property
Tfus 483.42 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 878.24 J/mol×K 840.8 Joback Calculated Property
η 0.00 Pa×s 840.8 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- 8
-CH3 3

Similar Compounds

Terephthalic acid, butyl heptyl-3 ester. Terephthalic acid, ethyl heptyl-3 ester. Terephthalic acid, heptyl heptyl-3 ester. Terephthalic acid, 4-heptyl pentyl ester. Terephthalic acid, heptyl-3 nonyl ester. Terephthalic acid, heptyl-3 undecyl ester. Terephthalic acid, heptadecyl heptyl-3 ester. Terephthalic acid, heptyl-3 octyl ester. Terephthalic acid, heptyl-3 tetradecyl ester. Terephthalic acid, heptyl-3 tridecyl ester. Terephthalic acid, dodecyl heptyl-3 ester. Terephthalic acid, heptyl-3 hexadecyl ester. Terephthalic acid, heptyl-3 pentadecyl ester. Terephthalic acid, decyl heptyl-3 ester. Terephthalic acid, 4-heptyl hexyl ester.

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