Chemical Properties of Terephthalic acid, heptyl-3 pentadecyl ester

Terephthalic acid, heptyl-3 pentadecyl ester

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InChI
InChI=1S/C30H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-25-33-29(31)26-21-23-27(24-22-26)30(32)34-28(6-3)20-8-5-2/h21-24,28H,4-20,25H2,1-3H3
InChI Key
XYQALTHKGPDBSL-UHFFFAOYSA-N
Formula
C30H50O4
SMILES
CCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OC(CC)CCCC)cc1
Molecular Weight1
474.72
Other Names
  • Terephthalic acid, heptyl-3 pentadecyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -165.78 kJ/mol Joback Calculated Property
Δfgas -932.35 kJ/mol Joback Calculated Property
Δfus 69.16 kJ/mol Joback Calculated Property
Δvap 103.24 kJ/mol Joback Calculated Property
logPoct/wat 9.06 Crippen Calculated Property
Pc 737.62 kPa Joback Calculated Property
Tboil 1069.60 K Joback Calculated Property
Tc 1321.85 K Joback Calculated Property
Tfus 596.12 K Joback Calculated Property
Vc 1.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1497.00 J/mol×K 1069.6 Joback Calculated Property
η 0.00 Pa×s 1069.6 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- 18
-CH3 3

Similar Compounds

Terephthalic acid, heptyl-3 nonyl ester. Terephthalic acid, heptyl-3 undecyl ester. Terephthalic acid, heptyl-3 hexadecyl ester. Terephthalic acid, decyl heptyl-3 ester. Terephthalic acid, heptadecyl heptyl-3 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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