Chemical Properties of Isophthalic acid, hexyl hex-2-yl ester

Isophthalic acid, hexyl hex-2-yl ester

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InChI
InChI=1S/C20H30O4/c1-4-6-8-9-14-23-19(21)17-12-10-13-18(15-17)20(22)24-16(3)11-7-5-2/h10,12-13,15-16H,4-9,11,14H2,1-3H3
InChI Key
CKKFNEJBUHJVCK-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCCCCCOC(=O)c1cccc(C(=O)OC(C)CCCC)c1
Molecular Weight1
334.45
Sources

Physical Properties

Property Value Unit Source
Δf -249.98 kJ/mol Joback Calculated Property
Δfgas -725.95 kJ/mol Joback Calculated Property
Δfus 43.26 kJ/mol Joback Calculated Property
Δvap 80.98 kJ/mol Joback Calculated Property
logPoct/wat 5.16 Crippen Calculated Property
Pc 1349.66 kPa Joback Calculated Property
Tboil 840.80 K Joback Calculated Property
Tc 1042.55 K Joback Calculated Property
Tfus 483.42 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 878.24 J/mol×K 840.8 Joback Calculated Property
η 0.00 Pa×s 840.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 8
-CH3 3

Similar Compounds

Isophthalic acid, butyl hex-3-yl ester. Isophthalic acid, heptyl hex-2-yl ester. Isophthalic acid, hept-2-yl pentyl ester. Isophthalic acid, ethyl hept-2-yl ester. Isophthalic acid, hept-2-yl hexyl ester. Isophthalic acid, di(hept-2-yl) ester. Isophthalic acid, di(hex-2-yl) ester. Isophthalic acid, ethyl hex-2-yl ester. Isophthalic acid, hex-2-yl tetradecyl ester. Isophthalic acid, hex-2-yl tridecyl ester. Isophthalic acid, hex-2-yl undecyl ester. Isophthalic acid, decyl hex-2-yl ester. Isophthalic acid, hex-2-yl nonyl ester. Isophthalic acid, dodecyl hex-2-yl ester. Isophthalic acid, hex-2-yl pentadecyl ester.

Find more compounds similar to Isophthalic acid, hexyl hex-2-yl ester.

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