Chemical Properties of Diethylmalonic acid, 3-phenoxybenzyl propyl ester

Diethylmalonic acid, 3-phenoxybenzyl propyl ester

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InChI
InChI=1S/C23H28O5/c1-4-15-26-21(24)23(5-2,6-3)22(25)27-17-18-11-10-14-20(16-18)28-19-12-8-7-9-13-19/h7-14,16H,4-6,15,17H2,1-3H3
InChI Key
QZLIUKIMWKFFFQ-UHFFFAOYSA-N
Formula
C23H28O5
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Oc2ccccc2)c1
Molecular Weight1
384.47
Sources

Physical Properties

Property Value Unit Source
Δf -212.03 kJ/mol Joback Calculated Property
Δfgas -687.03 kJ/mol Joback Calculated Property
Δfus 42.37 kJ/mol Joback Calculated Property
Δvap 91.43 kJ/mol Joback Calculated Property
logPoct/wat 5.28 Crippen Calculated Property
Pc 1387.11 kPa Joback Calculated Property
Tboil 955.75 K Joback Calculated Property
Tc 1183.43 K Joback Calculated Property
Tfus 583.30 K Joback Calculated Property
Vc 1.16 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 984.93 J/mol×K 955.75 Joback Calculated Property
η 0.00 Pa×s 955.75 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>C=O (nonring) 2
=CH- (ring) 9
=C< (ring) 3
-CH2- 5
>C< 1
-CH3 3

Similar Compounds

Diethylmalonic acid, butyl 3-phenoxybenzyl ester. Diethylmalonic acid, isobutyl 3-phenoxybenzyl ester. Diethylmalonic acid, pentyl 3-phenoxybenzyl ester. Diethylmalonic acid, hexyl 3-phenoxybenzyl ester. Diethylmalonic acid, octyl 3-phenoxybenzyl ester. Diethylmalonic acid, heptyl 3-phenoxybenzyl ester. Diethylmalonic acid, nonyl 3-phenoxybenzyl ester. Diethylmalonic acid, ethyl 3-phenoxybenzyl ester. Diethylmalonic acid, 4-bromobenzyl butyl ester. Diethylmalonic acid, 4-bromobenzyl pentyl ester. Diethylmalonic acid, 4-bromobenzyl isobutyl ester. Diethylmalonic acid, 4-chlorobenzyl propyl ester. Diethylmalonic acid, butyl 4-chlorobenzyl ester. Diethylmalonic acid, 4-bromobenzyl hexyl ester. Diethylmalonic acid, 4-chlorobenzyl isobutyl ester.

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