Chemical Properties of Terephthalic acid, 3-hexyl octyl ester

Terephthalic acid, 3-hexyl octyl ester

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InChI
InChI=1S/C22H34O4/c1-4-7-8-9-10-11-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20(6-3)12-5-2/h13-16,20H,4-12,17H2,1-3H3
InChI Key
WZWBTRRCGLXDIL-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CCCCCCCCOC(=O)c1ccc(C(=O)OC(CC)CCC)cc1
Molecular Weight1
362.50
Sources

Physical Properties

Property Value Unit Source
Δf -233.14 kJ/mol Joback Calculated Property
Δfgas -767.23 kJ/mol Joback Calculated Property
Δfus 48.44 kJ/mol Joback Calculated Property
Δvap 85.43 kJ/mol Joback Calculated Property
logPoct/wat 5.94 Crippen Calculated Property
Pc 1177.66 kPa Joback Calculated Property
Tboil 886.56 K Joback Calculated Property
Tc 1090.83 K Joback Calculated Property
Tfus 505.96 K Joback Calculated Property
Vc 1.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 997.77 J/mol×K 886.56 Joback Calculated Property
η 0.00 Pa×s 886.56 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
>C=O (nonring) 2

Similar Compounds

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

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