Chemical Properties of Terephthalic acid, decyl heptyl-3 ester

Terephthalic acid, decyl heptyl-3 ester

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InChI
InChI=1S/C25H40O4/c1-4-7-9-10-11-12-13-14-20-28-24(26)21-16-18-22(19-17-21)25(27)29-23(6-3)15-8-5-2/h16-19,23H,4-15,20H2,1-3H3
InChI Key
XFIMDIXXYJSMDD-UHFFFAOYSA-N
Formula
C25H40O4
SMILES
CCCCCCCCCCOC(=O)c1ccc(C(=O)OC(CC)CCCC)cc1
Molecular Weight1
404.58
Other Names
  • Terephthalic acid, decyl heptyl-3 ester
Sources

Physical Properties

Property Value Unit Source
Δf -207.88 kJ/mol Joback Calculated Property
Δfgas -829.15 kJ/mol Joback Calculated Property
Δfus 56.21 kJ/mol Joback Calculated Property
Δvap 92.11 kJ/mol Joback Calculated Property
logPoct/wat 7.110 Crippen Calculated Property
Pc 975.34 kPa Joback Calculated Property
Tboil 955.20 K Joback Calculated Property
Tc 1169.50 K Joback Calculated Property
Tfus 539.77 K Joback Calculated Property
Vc 1.369 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1181.72 J/mol×K 955.2 Joback Calculated Property
η 0.0000241 Pa×s 955.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 13
>C=O (nonring) 2

Similar Compounds

Terephthalic acid, heptyl-3 nonyl ester. Terephthalic acid, heptyl-3 undecyl ester. Terephthalic acid, heptyl-3 hexadecyl ester. Terephthalic acid, heptadecyl heptyl-3 ester. Terephthalic acid, heptyl-3 pentadecyl ester. Terephthalic acid, heptyl-3 tetradecyl ester. Terephthalic acid, heptyl-3 octyl ester. Terephthalic acid, heptyl-3 tridecyl ester. Terephthalic acid, dodecyl heptyl-3 ester. Terephthalic acid, heptyl heptyl-3 ester. Terephthalic acid, 4-heptyl hexadecyl ester. Terephthalic acid, 4-heptyl pentadecyl ester. Terephthalic acid, 4-heptyl tetradecyl ester. Terephthalic acid, 4-heptyl undecyl ester. Terephthalic acid, 4-heptyl tridecyl ester.

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