Chemical Properties of Isophthalic acid, hexadecyl hex-3-yl ester

Isophthalic acid, hexadecyl hex-3-yl ester

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InChI
InChI=1S/C31H52O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-25-34-30(32)28-23-21-24-29(26-28)31(33)35-27(3)22-19-7-5-2/h21,23-24,26-27H,4-20,22,25H2,1-3H3
InChI Key
PREBMEDFNLRDOE-UHFFFAOYSA-N
Formula
C31H52O4
SMILES
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(C)CCCCC)c1
Molecular Weight1
488.74
Other Names
  • Isophthalic acid, hexadecyl hex-3-yl ester
Sources

Physical Properties

Property Value Unit Source
Δf -157.36 kJ/mol Joback Calculated Property
Δfgas -952.99 kJ/mol Joback Calculated Property
Δfus 71.75 kJ/mol Joback Calculated Property
Δvap 105.46 kJ/mol Joback Calculated Property
logPoct/wat 9.45 Crippen Calculated Property
Pc 700.61 kPa Joback Calculated Property
Tboil 1092.48 K Joback Calculated Property
Tc 1356.26 K Joback Calculated Property
Tfus 607.39 K Joback Calculated Property
Vc 1.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1560.96 J/mol×K 1092.48 Joback Calculated Property
η 0.00 Pa×s 1092.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 19
>C=O (nonring) 2

Similar Compounds

Isophthalic acid, hept-2-yl octyl ester. Isophthalic acid, hept-2-yl nonyl ester. Isophthalic acid, hept-2-yl pentadecyl ester. Isophthalic acid, hept-2-yl tetradecyl ester. Isophthalic acid, decyl dec-2-yl ester. Isophthalic acid, dec-2-yl heptyl ester. Isophthalic acid, dec-2-yl octyl ester. Isophthalic acid, decyl hept-2-yl ester. Isophthalic acid, di(dec-2-yl) ester. Isophthalic acid, dec-2-yl undecyl ester. Isophthalic acid, hept-2-yl undecyl ester. Isophthalic acid, dodecyl hept-2-yl ester. Isophthalic acid, dec-2-yl dodecyl ester. Isophthalic acid, hept-2-yl tridecyl ester. Isophthalic acid, dec-2-yl hexyl ester.

Find more compounds similar to Isophthalic acid, hexadecyl hex-3-yl ester.

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