Chemical Properties of Terephthalic acid, diheptyl ester

Terephthalic acid, diheptyl ester

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InChI
InChI=1S/C22H34O4/c1-3-5-7-9-11-17-25-21(23)19-13-15-20(16-14-19)22(24)26-18-12-10-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3
InChI Key
RXDQUKGEPHJIJN-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC)cc1
Molecular Weight1
362.50
Other Names
  • 1,4-Benzenedicarboxylic acid, diheptyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -230.70 kJ/mol Joback Calculated Property
Δfgas -761.95 kJ/mol Joback Calculated Property
Δfus 51.96 kJ/mol Joback Calculated Property
Δvap 85.82 kJ/mol Joback Calculated Property
logPoct/wat 5.94 Crippen Calculated Property
Pc 1171.22 kPa Joback Calculated Property
Tboil 887.00 K Joback Calculated Property
Tc 1090.20 K Joback Calculated Property
Tfus 520.96 K Joback Calculated Property
Vc 1.21 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 997.29 J/mol×K 887.0 Joback Calculated Property
η 0.00 Pa×s 887.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 12
-CH3 2

Similar Compounds

Terephthalic acid, heptyl pentyl 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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