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

Isophthalic acid, butyl hex-3-yl ester

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InChI
InChI=1S/C19H28O4/c1-4-6-8-10-15(3)23-19(21)17-12-9-11-16(14-17)18(20)22-13-7-5-2/h9,11-12,14-15H,4-8,10,13H2,1-3H3
InChI Key
ILRGMDONVIOSJD-UHFFFAOYSA-N
Formula
C19H28O4
SMILES
CCCCCC(C)OC(=O)c1cccc(C(=O)OCCCC)c1
Molecular Weight1
320.42
Other Names
  • Isophthalic acid, butyl hex-3-yl ester
Sources

Physical Properties

Property Value Unit Source
Δf -258.40 kJ/mol Joback Calculated Property
Δfgas -705.31 kJ/mol Joback Calculated Property
Δfus 40.67 kJ/mol Joback Calculated Property
Δvap 78.75 kJ/mol Joback Calculated Property
logPoct/wat 4.77 Crippen Calculated Property
Pc 1450.14 kPa Joback Calculated Property
Tboil 817.92 K Joback Calculated Property
Tc 1019.49 K Joback Calculated Property
Tfus 472.15 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 819.59 J/mol×K 817.92 Joback Calculated Property
η 0.00 Pa×s 817.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 7
>C=O (nonring) 2

Similar Compounds

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

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