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
ΔfusH° 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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [352.28; 783.16] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.76640e+01
Coefficient B1.32162e+00
Coefficient C-6.36120e-04
Coefficient D6.00000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 352.28 J/mol×K 273.00 Calculated Property
Cp,gas 428.26 J/mol×K 353.78 Calculated Property
Cp,gas 496.78 J/mol×K 434.56 Calculated Property
Cp,gas 558.02 J/mol×K 515.33 Calculated Property
Cp,gas 612.16 J/mol×K 596.11 Calculated Property
Cp,gas 659.41 J/mol×K 676.89 Calculated Property
Cp,gas 699.94 J/mol×K 757.67 Calculated Property
Cp,gas 733.95 J/mol×K 838.44 Calculated Property
Cp,gas 761.63 J/mol×K 919.22 Calculated Property
Cp,gas 783.16 J/mol×K 1000.00 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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