Chemical Properties of Sebacic acid, butyl 3-methyl-4-nitrobenzyl ester

Sebacic acid, butyl 3-methyl-4-nitrobenzyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C22H33NO6/c1-3-4-15-28-21(24)11-9-7-5-6-8-10-12-22(25)29-17-19-13-14-20(23(26)27)18(2)16-19/h13-14,16H,3-12,15,17H2,1-2H3
InChI Key
SXMNXPXBUSCTHR-UHFFFAOYSA-N
Formula
C22H33NO6
SMILES
CCCCOC(=O)CCCCCCCCC(=O)OCc1ccc([N+](=O)[O-])c(C)c1
Molecular Weight1
407.50
Sources

Physical Properties

Property Value Unit Source
Δf -204.78 kJ/mol Joback Calculated Property
Δfgas -784.18 kJ/mol Joback Calculated Property
Δfus 62.93 kJ/mol Joback Calculated Property
Δvap 103.07 kJ/mol Joback Calculated Property
logPoct/wat 5.41 Crippen Calculated Property
Pc 1168.82 kPa Joback Calculated Property
Tboil 1043.82 K Joback Calculated Property
Tc 1278.00 K Joback Calculated Property
Tfus 677.09 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1107.06 J/mol×K 1043.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 3
-NO2 1
=C< (ring) 3
-CH2- 12
-CH3 2

Similar Compounds

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

Find more compounds similar to Sebacic acid, butyl 3-methyl-4-nitrobenzyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.