Chemical Properties of Isophthalic acid, hexyl tetradecyl ester

Isophthalic acid, hexyl tetradecyl ester

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InChI
InChI=1S/C28H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-8-6-4-2/h19-21,24H,3-18,22-23H2,1-2H3
InChI Key
BEHGUODIBQXYEO-UHFFFAOYSA-N
Formula
C28H46O4
SMILES
CCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCC)c1
Molecular Weight1
446.66
Sources

Physical Properties

Property Value Unit Source
Δf -180.18 kJ/mol Joback Calculated Property
Δfgas -885.79 kJ/mol Joback Calculated Property
Δfus 67.50 kJ/mol Joback Calculated Property
Δvap 99.17 kJ/mol Joback Calculated Property
logPoct/wat 8.28 Crippen Calculated Property
Pc 817.26 kPa Joback Calculated Property
Tboil 1024.28 K Joback Calculated Property
Tc 1259.00 K Joback Calculated Property
Tfus 588.58 K Joback Calculated Property
Vc 1.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1369.60 J/mol×K 1024.28 Joback Calculated Property
η 0.00 Pa×s 1024.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 18
-CH3 2

Similar Compounds

Isophthalic acid, hexyl pentadecyl ester. Methyl undecyl isophthalate. Isophthalic acid, hexadecyl hexyl 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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