Chemical Properties of Sebacic acid, ethyl 4-nitrobenzyl ester

Sebacic acid, ethyl 4-nitrobenzyl ester

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InChI
InChI=1S/C19H27NO6/c1-2-25-18(21)9-7-5-3-4-6-8-10-19(22)26-15-16-11-13-17(14-12-16)20(23)24/h11-14H,2-10,15H2,1H3
InChI Key
GFDDGNOYIBIWKV-UHFFFAOYSA-N
Formula
C19H27NO6
SMILES
CCOC(=O)CCCCCCCCC(=O)OCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
365.42
Sources

Physical Properties

Property Value Unit Source
Δf -220.41 kJ/mol Joback Calculated Property
Δfgas -710.79 kJ/mol Joback Calculated Property
Δfus 55.55 kJ/mol Joback Calculated Property
Δvap 95.73 kJ/mol Joback Calculated Property
logPoct/wat 4.32 Crippen Calculated Property
Pc 1454.57 kPa Joback Calculated Property
Tboil 970.20 K Joback Calculated Property
Tc 1193.92 K Joback Calculated Property
Tfus 630.76 K Joback Calculated Property
Vc 1.12 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 929.17 J/mol×K 970.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 10
-CH3 1

Similar Compounds

Sebacic acid, isobutyl 4-nitrobenzyl ester. Glutaric acid, ethyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl octyl ester. Glutaric acid, 4-nitrobenzyl nonyl ester. Glutaric acid, decyl 4-nitrobenzyl ester. Glutaric acid, heptyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl propyl ester. Glutaric acid, hexyl 4-nitrobenzyl ester. Glutaric acid, butyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl pentyl ester. Glutaric acid, isobutyl 4-nitrobenzyl ester. Glutaric acid, di(4-nitrobenzyl) ester. Succinic acid, butyl 4-nitrobenzyl ester. Sebacic acid, ethyl 3-methyl-4-nitrobenzyl ester. Sebacic acid, 3-methyl-4-nitrobenzyl propyl ester.

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