Chemical Properties of Terephthalic acid, ethyl heptyl-3 ester

Terephthalic acid, ethyl heptyl-3 ester

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InChI
InChI=1S/C17H24O4/c1-4-7-8-15(5-2)21-17(19)14-11-9-13(10-12-14)16(18)20-6-3/h9-12,15H,4-8H2,1-3H3
InChI Key
MCJVTUXILHOYDL-UHFFFAOYSA-N
Formula
C17H24O4
SMILES
CCCCC(CC)OC(=O)c1ccc(C(=O)OCC)cc1
Molecular Weight1
292.37
Other Names
  • Terephthalic acid, ethyl heptyl-3 ester
Sources

Physical Properties

Property Value Unit Source
Δf -275.24 kJ/mol Joback Calculated Property
Δfgas -664.03 kJ/mol Joback Calculated Property
Δfus 35.49 kJ/mol Joback Calculated Property
Δvap 74.30 kJ/mol Joback Calculated Property
logPoct/wat 3.99 Crippen Calculated Property
Pc 1687.95 kPa Joback Calculated Property
Tboil 772.16 K Joback Calculated Property
Tc 975.26 K Joback Calculated Property
Tfus 449.61 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 704.89 J/mol×K 772.16 Joback Calculated Property
η 0.00 Pa×s 772.16 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- 5
-CH3 3

Similar Compounds

Terephthalic acid, heptyl-3 pentyl ester. Terephthalic acid, butyl 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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