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

Isophthalic acid, hept-2-yl octyl ester

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InChI
InChI=1S/C23H36O4/c1-4-6-8-9-10-12-17-26-22(24)20-15-13-16-21(18-20)23(25)27-19(3)14-11-7-5-2/h13,15-16,18-19H,4-12,14,17H2,1-3H3
InChI Key
ZZNLNFGQHKNQPB-UHFFFAOYSA-N
Formula
C23H36O4
SMILES
CCCCCCCCOC(=O)c1cccc(C(=O)OC(C)CCCCC)c1
Molecular Weight1
376.53
Sources

Physical Properties

Property Value Unit Source
Δf -224.72 kJ/mol Joback Calculated Property
Δfgas -787.87 kJ/mol Joback Calculated Property
Δfus 51.03 kJ/mol Joback Calculated Property
Δvap 87.65 kJ/mol Joback Calculated Property
logPoct/wat 6.330 Crippen Calculated Property
Pc 1103.74 kPa Joback Calculated Property
Tboil 909.44 K Joback Calculated Property
Tc 1116.16 K Joback Calculated Property
Tfus 517.23 K Joback Calculated Property
Vc 1.258 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1058.53 J/mol×K 909.44 Joback Calculated Property
η 0.0000326 Pa×s 909.44 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- 11
-CH3 3

Similar Compounds

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, dodecyl hept-2-yl 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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