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

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

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InChI
InChI=1S/C22H33NO6/c1-17(2)15-28-21(24)10-8-6-4-5-7-9-11-22(25)29-16-19-13-12-18(3)20(14-19)23(26)27/h12-14,17H,4-11,15-16H2,1-3H3
InChI Key
LUYZVOLEFVYXHI-UHFFFAOYSA-N
Formula
C22H33NO6
SMILES
Cc1ccc(COC(=O)CCCCCCCCC(=O)OCC(C)C)cc1[N+](=O)[O-]
Molecular Weight1
407.50
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Physical Properties

Property Value Unit Source
Δf -207.22 kJ/mol Joback Calculated Property
Δfgas -789.46 kJ/mol Joback Calculated Property
Δfus 59.41 kJ/mol Joback Calculated Property
Δvap 102.68 kJ/mol Joback Calculated Property
log10WS -6.82 Crippen Calculated Property
logPoct/wat 5.266 Crippen Calculated Property
McVol 329.380 ml/mol McGowan Calculated Property
Pc 1175.24 kPa Joback Calculated Property
Inp [3013.00; 3013.00]   Show Hide
Inp 3013.00 NIST
Inp 3013.00 NIST
Tboil 1043.38 K Joback Calculated Property
Tc 1277.70 K Joback Calculated Property
Tfus 662.09 K Joback Calculated Property
Vc 1.284 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1107.35; 1160.25] J/mol×K [1043.38; 1277.70] Show Hide
Cp,gas 1107.35 J/mol×K 1043.38 Joback Calculated Property
Cp,gas 1119.92 J/mol×K 1082.43 Joback Calculated Property
Cp,gas 1130.92 J/mol×K 1121.49 Joback Calculated Property
Cp,gas 1140.42 J/mol×K 1160.54 Joback Calculated Property
Cp,gas 1148.44 J/mol×K 1199.59 Joback Calculated Property
Cp,gas 1155.04 J/mol×K 1238.64 Joback Calculated Property
Cp,gas 1160.25 J/mol×K 1277.70 Joback Calculated Property

Similar Compounds

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

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

Sources

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