Chemical Properties of Adipic acid, isohexyl 3-phenoxybenzyl ester

Adipic acid, isohexyl 3-phenoxybenzyl ester

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InChI
InChI=1S/C25H32O5/c1-20(2)10-9-17-28-24(26)15-6-7-16-25(27)29-19-21-11-8-14-23(18-21)30-22-12-4-3-5-13-22/h3-5,8,11-14,18,20H,6-7,9-10,15-17,19H2,1-2H3
InChI Key
VLOXDVLDLWWVRQ-UHFFFAOYSA-N
Formula
C25H32O5
SMILES
CC(C)CCCOC(=O)CCCCC(=O)OCc1cccc(Oc2ccccc2)c1
Molecular Weight1
412.52
Sources

Physical Properties

Property Value Unit Source
Δf -200.47 kJ/mol Joback Calculated Property
Δfgas -724.84 kJ/mol Joback Calculated Property
Δfus 51.44 kJ/mol Joback Calculated Property
Δvap 96.79 kJ/mol Joback Calculated Property
logPoct/wat 6.06 Crippen Calculated Property
Pc 1198.96 kPa Joback Calculated Property
Tboil 1004.30 K Joback Calculated Property
Tc 1232.41 K Joback Calculated Property
Tfus 588.42 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1104.72 J/mol×K 1004.3 Joback Calculated Property
η 0.00 Pa×s 1004.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
>C=O (nonring) 2
=CH- (ring) 9
=C< (ring) 3
-CH2- 8
-CH3 2

Similar Compounds

Adipic acid, hexyl 3-phenoxybenzyl ester. Adipic acid, pentyl 3-phenoxybenzyl ester. Adipic acid, butyl 3-phenoxybenzyl ester. Adipic acid, heptyl 3-phenoxybenzyl ester. Adipic acid, 3-phenoxybenzyl undecyl ester. Adipic acid, decyl 3-phenoxybenzyl ester. Adipic acid, octyl 3-phenoxybenzyl ester. Adipic acid, nonyl 3-phenoxybenzyl ester. Adipic acid, 3-phenoxybenzyl propyl ester. Adipic acid, ethyl 3-phenoxybenzyl ester. Adipic acid, isobutyl 3-phenoxybenzyl ester. Glutaric acid, isohexyl 3-phenoxybenzyl ester. Glutaric acid, hexyl 3-phenoxybenzyl ester. Glutaric acid, heptyl 3-phenoxybenzyl ester. Glutaric acid, octyl 3-phenoxybenzyl ester.

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