Chemical Properties of Terephthalic acid, heptyl pentyl ester

Terephthalic acid, heptyl pentyl ester

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InChI
InChI=1S/C20H30O4/c1-3-5-7-8-10-16-24-20(22)18-13-11-17(12-14-18)19(21)23-15-9-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChI Key
GDXYOZUJFDYDFU-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCCCCCCOC(=O)c1ccc(C(=O)OCCCCC)cc1
Molecular Weight1
334.45
Other Names
  • Heptyl pentyl terephthalate
Sources

Physical Properties

Property Value Unit Source
Δf -247.54 kJ/mol Joback Calculated Property
Δfgas -720.67 kJ/mol Joback Calculated Property
Δfus 46.78 kJ/mol Joback Calculated Property
Δvap 81.36 kJ/mol Joback Calculated Property
logPoct/wat 5.16 Crippen Calculated Property
Pc 1341.76 kPa Joback Calculated Property
Tboil 841.24 K Joback Calculated Property
Tc 1041.25 K Joback Calculated Property
Tfus 498.42 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 877.72 J/mol×K 841.24 Joback Calculated Property
η 0.00 Pa×s 841.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
-CH3 2

Similar Compounds

Terephthalic acid, diheptyl ester. 1,4-Benzenedicarboxylic acid, decyl ethyl ester. Terephthalic acid, nonyl propyl ester. Terephthalic acid, methyl undecyl ester. 1,4-Benzenedicarboxylic acid, dioctyl ester. Butyl octyl terephthalate. 1,4-Benzenedicarboxylic acid, dihexyl ester. p-Toluic acid, heptyl ester. P-toluic acid, tetradecyl ester. P-toluic acid, tridecyl ester. p-Toluic acid, pentadecyl ester. p-Toluic acid, nonyl ester. p-Toluic acid, heptadecyl ester. P-toluic acid, undecyl ester. P-toluic acid, decyl ester.

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