Chemical Properties of Sebacic acid, butyl 2-(3-nitrophenyl)ethyl ester

Sebacic acid, butyl 2-(3-nitrophenyl)ethyl ester

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InChI
InChI=1S/C22H33NO6/c1-2-3-16-28-21(24)13-8-6-4-5-7-9-14-22(25)29-17-15-19-11-10-12-20(18-19)23(26)27/h10-12,18H,2-9,13-17H2,1H3
InChI Key
KWKNKTKMXSPQOD-UHFFFAOYSA-N
Formula
C22H33NO6
SMILES
CCCCOC(=O)CCCCCCCCC(=O)OCCc1cccc([N+](=O)[O-])c1
Molecular Weight1
407.50
Sources

Physical Properties

Property Value Unit Source
Δf -195.15 kJ/mol Joback Calculated Property
Δfgas -772.71 kJ/mol Joback Calculated Property
Δfus 63.32 kJ/mol Joback Calculated Property
Δvap 102.41 kJ/mol Joback Calculated Property
logPoct/wat 5.145 Crippen Calculated Property
Pc 1180.90 kPa Joback Calculated Property
Tboil 1038.84 K Joback Calculated Property
Tc 1271.93 K Joback Calculated Property
Tfus 664.57 K Joback Calculated Property
Vc 1.290 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1108.40 J/mol×K 1038.84 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- 13
-CH3 1

Similar Compounds

Sebacic acid, 2-(3-nitrophenyl)ethyl pentyl ester. Sebacic acid, hexyl 2-(3-nitrophenyl)ethyl ester. Sebacic acid, 2-(3-nitrophenyl)ethyl propyl ester. Sebacic acid, ethyl 2-(3-nitrophenyl)ethyl ester. Sebacic acid, isobutyl 2-(3-nitrophenyl)ethyl ester. Glutaric acid, 3-nitrophenethyl octyl ester. Glutaric acid, decyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl tridecyl ester. Glutaric acid, 3-nitrophenethyl nonyl ester. Glutaric acid, heptyl 3-nitrophenethyl ester. Glutaric acid, dodecyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl undecyl ester. Glutaric acid, hexyl 3-nitrophenethyl ester. Glutaric acid, butyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl pentyl ester.

Find more compounds similar to Sebacic acid, butyl 2-(3-nitrophenyl)ethyl ester.

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