Chemical Properties of Isophthalic acid, hexyl 3-phenoxybenzyl ester

Isophthalic acid, hexyl 3-phenoxybenzyl ester

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InChI
InChI=1S/C27H28O5/c1-2-3-4-8-17-30-26(28)22-12-10-13-23(19-22)27(29)31-20-21-11-9-16-25(18-21)32-24-14-6-5-7-15-24/h5-7,9-16,18-19H,2-4,8,17,20H2,1H3
InChI Key
PLBCMBRXGNRNJD-UHFFFAOYSA-N
Formula
C27H28O5
SMILES
CCCCCCOC(=O)c1cccc(C(=O)OCc2cccc(Oc3ccccc3)c2)c1
Molecular Weight1
432.51
Sources

Physical Properties

Property Value Unit Source
Δf -78.41 kJ/mol Joback Calculated Property
Δfgas -535.78 kJ/mol Joback Calculated Property
Δfus 53.79 kJ/mol Joback Calculated Property
Δvap 104.57 kJ/mol Joback Calculated Property
logPoct/wat 6.57 Crippen Calculated Property
Pc 1301.41 kPa Joback Calculated Property
Tboil 1082.16 K Joback Calculated Property
Tc 1329.02 K Joback Calculated Property
Tfus 664.90 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1110.16 J/mol×K 1082.16 Joback Calculated Property
η 0.00 Pa×s 1082.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>C=O (nonring) 2
=CH- (ring) 13
=C< (ring) 5
-CH2- 6
-CH3 1

Similar Compounds

Isophthalic acid, heptyl 3-phenoxybenzyl ester. Isophthalic acid, pentyl 3-phenoxybenzyl ester. Isophthalic acid, isohexyl 3-phenoxybenzyl ester. Isophthalic acid, butyl 3-phenoxybenzyl ester. Isophthalic acid, 3-phenoxybenzyl propyl ester. Isophthalic acid, isobutyl 3-phenoxybenzyl ester. Phthalic acid, hexyl 3-phenoxybenzyl ester. Phthalic acid, heptyl 3-phenoxybenzyl ester. Phthalic acid, nonyl 3-phenoxybenzyl ester. Phthalic acid, octyl 3-phenoxybenzyl ester. Phthalic acid, pentyl 3-phenoxybenzyl ester. Phthalic acid, butyl 3-phenoxybenzyl ester. Phthalic acid, 3-phenoxybenzyl propyl ester. Phthalic acid, isobutyl 3-phenoxybenzyl ester. Isophthalic acid, 4-methoxybenzyl propyl ester.

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