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

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

InChI
InChI=1S/C16H21NO6/c1-11(2)9-22-15(18)6-7-16(19)23-10-13-5-4-12(3)14(8-13)17(20)21/h4-5,8,11H,6-7,9-10H2,1-3H3
InChI Key
MGNDJLKWHRSJLY-UHFFFAOYSA-N
Formula
C16H21NO6
SMILES
Cc1ccc(COC(=O)CCC(=O)OCC(C)C)cc1[N+](=O)[O-]
Molecular Weight1
323.34
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Physical Properties

Property Value Unit Source
Δfus 47.03 kJ/mol Joback Calculated Property
logPoct/wat 2.926 Crippen Calculated Property
McVol 244.840 ml/mol McGowan Calculated Property
Inp [2389.00; 2389.00]   Show Hide
Inp 2389.00 NIST
Inp 2389.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [745.56; 800.43] J/mol×K [870.16; 1091.82] Show Hide
Cp,gas 745.56 J/mol×K 870.16 Joback Calculated Property
Cp,gas 757.87 J/mol×K 907.10 Joback Calculated Property
Cp,gas 768.89 J/mol×K 944.05 Joback Calculated Property
Cp,gas 778.64 J/mol×K 980.99 Joback Calculated Property
Cp,gas 787.13 J/mol×K 1017.93 Joback Calculated Property
Cp,gas 794.39 J/mol×K 1054.88 Joback Calculated Property
Cp,gas 800.43 J/mol×K 1091.82 Joback Calculated Property

Similar Compounds

Glutaric acid, isobutyl 4-methyl-3-nitrobenzyl ester. Succinic acid, 4-methyl-3-nitrobenzyl propyl ester. Sebacic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Succinic acid, butyl 4-methyl-3-nitrobenzyl ester. Succinic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester. Succinic acid, 4-methyl-3-nitrobenzyl pentyl ester. Succinic acid, ethyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl propyl ester. Glutaric acid, butyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl pentyl ester. Succinic acid, 2-methylhex-3-yl 4-methyl-3-nitrobenzyl ester. Sebacic acid, 4-methyl-3-nitrobenzyl pentyl ester. Succinic acid, di(4-methyl-3-nitrobenzyl) ester. Glutaric acid, heptyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, decyl 4-methyl-3-nitrobenzyl ester.

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

Sources

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