Chemical Properties of Isophthalic acid, dodecyl hept-2-yl ester

Isophthalic acid, dodecyl hept-2-yl ester

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InChI
InChI=1S/C27H44O4/c1-4-6-8-9-10-11-12-13-14-16-21-30-26(28)24-19-17-20-25(22-24)27(29)31-23(3)18-15-7-5-2/h17,19-20,22-23H,4-16,18,21H2,1-3H3
InChI Key
AFWBWVGEQHRFCD-UHFFFAOYSA-N
Formula
C27H44O4
SMILES
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(C)CCCCC)c1
Molecular Weight1
432.64
Sources

Physical Properties

Property Value Unit Source
Δf -191.04 kJ/mol Joback Calculated Property
Δfgas -870.43 kJ/mol Joback Calculated Property
Δfus 61.39 kJ/mol Joback Calculated Property
Δvap 96.56 kJ/mol Joback Calculated Property
logPoct/wat 7.89 Crippen Calculated Property
Pc 868.11 kPa Joback Calculated Property
Tboil 1000.96 K Joback Calculated Property
Tc 1226.87 K Joback Calculated Property
Tfus 562.31 K Joback Calculated Property
Vc 1.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1306.77 J/mol×K 1000.96 Joback Calculated Property
η 0.00 Pa×s 1000.96 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- 15
-CH3 3

Similar Compounds

Isophthalic acid, hept-2-yl octyl ester. Isophthalic acid, hept-2-yl nonyl ester. Isophthalic acid, hept-2-yl pentadecyl ester. Isophthalic acid, hept-2-yl tetradecyl ester. Isophthalic acid, decyl dec-2-yl ester. Isophthalic acid, dec-2-yl heptyl ester. Isophthalic acid, dec-2-yl octyl ester. Isophthalic acid, decyl hept-2-yl ester. Isophthalic acid, di(dec-2-yl) ester. Isophthalic acid, hexadecyl hex-3-yl ester. Isophthalic acid, dec-2-yl undecyl ester. Isophthalic acid, hept-2-yl undecyl ester. Isophthalic acid, dec-2-yl dodecyl ester. Isophthalic acid, hept-2-yl tridecyl ester. Isophthalic acid, dec-2-yl hexyl ester.

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