Chemical Properties of Isophthalic acid, hexadecyl hexyl ester

Isophthalic acid, hexadecyl hexyl ester

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InChI
InChI=1S/C30H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-25-34-30(32)28-23-21-22-27(26-28)29(31)33-24-19-8-6-4-2/h21-23,26H,3-20,24-25H2,1-2H3
InChI Key
ZYLOCUFAAXNDTK-UHFFFAOYSA-N
Formula
C30H50O4
SMILES
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCC)c1
Molecular Weight1
474.72
Sources

Physical Properties

Property Value Unit Source
Δf -163.34 kJ/mol Joback Calculated Property
Δfgas -927.07 kJ/mol Joback Calculated Property
Δfus 72.68 kJ/mol Joback Calculated Property
Δvap 103.62 kJ/mol Joback Calculated Property
logPoct/wat 9.06 Crippen Calculated Property
Pc 734.42 kPa Joback Calculated Property
Tboil 1070.04 K Joback Calculated Property
Tc 1324.57 K Joback Calculated Property
Tfus 611.12 K Joback Calculated Property
Vc 1.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1496.84 J/mol×K 1070.04 Joback Calculated Property
η 0.00 Pa×s 1070.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 20
-CH3 2

Similar Compounds

Isophthalic acid, hexyl pentadecyl ester. Methyl undecyl isophthalate. Isophthalic acid, hexyl tetradecyl ester. Isophthalic acid, nonyl propyl ester. Ethyl decyl isophthalate. Isophthalic acid, butyl octyl ester. 1,3-Benzenedicarboxylic acid, diheptyl ester. Heptyl pentyl isophthalate. Isophthalic acid, hexyl pentyl ester. Isophthalic acid, dihexyl ester. Isophthalic acid, ethyl hexyl ester. Isophthalic acid, butyl hexyl ester. 1,3-Benzenedicarboxylic acid, dipentyl ester. Isophthalic acid, hexadecyl pent-4-enyl ester. Isophthalic acid, nonyl pent-4-enyl ester.

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