Chemical Properties of Isophthalic acid, 1-propylbutyl undecyl ester

Isophthalic acid, 1-propylbutyl undecyl ester

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InChI
InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-20-29-25(27)22-18-15-19-23(21-22)26(28)30-24(16-5-2)17-6-3/h15,18-19,21,24H,4-14,16-17,20H2,1-3H3
InChI Key
PZTCCUMEDJNART-UHFFFAOYSA-N
Formula
C26H42O4
SMILES
CCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(CCC)CCC)c1
Molecular Weight1
418.61
Sources

Physical Properties

Property Value Unit Source
Δf -199.46 kJ/mol Joback Calculated Property
Δfgas -849.79 kJ/mol Joback Calculated Property
Δfus 58.80 kJ/mol Joback Calculated Property
Δvap 94.33 kJ/mol Joback Calculated Property
logPoct/wat 7.50 Crippen Calculated Property
Pc 919.39 kPa Joback Calculated Property
Tboil 978.08 K Joback Calculated Property
Tc 1197.65 K Joback Calculated Property
Tfus 551.04 K Joback Calculated Property
Vc 1.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1244.04 J/mol×K 978.08 Joback Calculated Property
η 0.00 Pa×s 978.08 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 14
>C=O (nonring) 2

Similar Compounds

Isophthalic acid, octyl 1-propylbutyl ester. Isophthalic acid, dodecyl 1-propylbutyl ester. Isophthalic acid, nonyl 1-propylbutyl ester. Isophthalic acid, 1-propylbutyl tetradecyl ester. Isophthalic acid, hexadecyl 1-propylbutyl ester. Isophthalic acid, pentadecyl 1-propylbutyl ester. Isophthalic acid, decyl 1-propylbutyl ester. Isophthalic acid, 1-propylbutyl tridecyl ester. Isophthalic acid, heptadecyl 1-propylbutyl ester. Isophthalic acid, heptyl 1-propylbutyl ester. Isophthalic acid, hex-3-yl tridecyl ester. Isophthalic acid, hex-3-yl octyl ester. Isophthalic acid, hex-3-yl nonyl ester. Isophthalic acid, hex-3-yl pentadecyl ester. Isophthalic acid, hex-3-yl tetradecyl ester.

Find more compounds similar to Isophthalic acid, 1-propylbutyl undecyl ester.

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