Chemical Properties of Isophthalic acid, di(hept-2-yl) ester

Isophthalic acid, di(hept-2-yl) ester

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InChI
InChI=1S/C22H34O4/c1-5-7-9-12-17(3)25-21(23)19-14-11-15-20(16-19)22(24)26-18(4)13-10-8-6-2/h11,14-18H,5-10,12-13H2,1-4H3
InChI Key
SJRJMNCNGUCTOX-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CCCCCC(C)OC(=O)c1cccc(C(=O)OC(C)CCCCC)c1
Molecular Weight1
362.50
Sources

Physical Properties

Property Value Unit Source
Δf -235.58 kJ/mol Joback Calculated Property
Δfgas -772.51 kJ/mol Joback Calculated Property
Δfus 44.92 kJ/mol Joback Calculated Property
Δvap 85.04 kJ/mol Joback Calculated Property
logPoct/wat 5.938 Crippen Calculated Property
Pc 1184.16 kPa Joback Calculated Property
Tboil 886.12 K Joback Calculated Property
Tc 1091.62 K Joback Calculated Property
Tfus 490.96 K Joback Calculated Property
Vc 1.196 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 998.25 J/mol×K 886.12 Joback Calculated Property
η 0.0000345 Pa×s 886.12 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Isophthalic acid, ethyl hept-2-yl ester. Isophthalic acid, butyl hex-3-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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