Chemical Properties of Diethylmalonic acid, heptyl 3-phenoxybenzyl ester

Diethylmalonic acid, heptyl 3-phenoxybenzyl ester

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InChI
InChI=1S/C27H36O5/c1-4-7-8-9-13-19-30-25(28)27(5-2,6-3)26(29)31-21-22-15-14-18-24(20-22)32-23-16-11-10-12-17-23/h10-12,14-18,20H,4-9,13,19,21H2,1-3H3
InChI Key
YRRZRWXJOUZZRM-UHFFFAOYSA-N
Formula
C27H36O5
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Oc2ccccc2)c1
Molecular Weight1
440.57
Sources

Physical Properties

Property Value Unit Source
Δf -178.35 kJ/mol Joback Calculated Property
Δfgas -769.59 kJ/mol Joback Calculated Property
Δfus 52.73 kJ/mol Joback Calculated Property
Δvap 100.34 kJ/mol Joback Calculated Property
logPoct/wat 6.84 Crippen Calculated Property
Pc 1061.71 kPa Joback Calculated Property
Tboil 1047.27 K Joback Calculated Property
Tc 1282.80 K Joback Calculated Property
Tfus 628.38 K Joback Calculated Property
Vc 1.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1226.06 J/mol×K 1047.27 Joback Calculated Property
η 0.00 Pa×s 1047.27 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Diethylmalonic acid, heptyl 3-phenoxybenzyl ester.

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