Chemical Properties of Succinic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester

Succinic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester

InChI
InChI=1S/C16H20N2O8/c1-10(2)8-25-15(19)4-5-16(20)26-9-12-6-13(17(21)22)11(3)14(7-12)18(23)24/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key
FMFVSXJIJORMRO-UHFFFAOYSA-N
Formula
C16H20N2O8
SMILES
Cc1c([N+](=O)[O-])cc(COC(=O)CCC(=O)OCC(C)C)cc1[N+](=O)[O-]
Molecular Weight1
368.34
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Physical Properties

Property Value Unit Source
ΔfusH° 58.01 kJ/mol Joback Calculated Property
logPoct/wat 2.834 Crippen Calculated Property
McVol 262.260 ml/mol McGowan Calculated Property
Pc 1699.10 kPa Joback Calculated Property
Inp [2615.00; 2615.00]   Show Hide
Inp 2615.00 NIST
Inp 2615.00 NIST
Tboil 630.93 K Relay (1.0) Calculated Property
Tc 914.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [382.00; 826.35] 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 A5.74540e+01
Coefficient B1.36148e+00
Coefficient C-6.47480e-04
Coefficient D5.49000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 382.00 J/mol×K 273.00 Calculated Property
Cp,gas 460.51 J/mol×K 353.78 Calculated Property
Cp,gas 531.33 J/mol×K 434.56 Calculated Property
Cp,gas 594.63 J/mol×K 515.33 Calculated Property
Cp,gas 650.60 J/mol×K 596.11 Calculated Property
Cp,gas 699.39 J/mol×K 676.89 Calculated Property
Cp,gas 741.19 J/mol×K 757.67 Calculated Property
Cp,gas 776.17 J/mol×K 838.44 Calculated Property
Cp,gas 804.50 J/mol×K 919.22 Calculated Property
Cp,gas 826.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Succinic acid, 3,5-dinitro-4-methylbenzyl pentyl ester. Succinic acid, 3,5-dinitro-4-methylbenzyl ethyl ester. Succinic acid, 3,5-dinitro-4-methylbenzyl 2-methylhex-3-yl ester. Succinic acid, 3,5-dinitro-2-methylbenzyl isobutyl ester. Glutaric acid, isobutyl 4-methyl-3-nitrobenzyl ester. Succinic acid, 4-methyl-3-nitrobenzyl propyl ester. Succinic acid, 3,5-dinitrobenzyl isobutyl ester. Sebacic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Succinic acid, 3,5-dinitro-2-methylbenzyl propyl ester. Glutaric acid, 3,5-dinitro-4-methylbenzyl ethyl ester. Succinic acid, butyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 3,5-dinitro-2-methylbenzyl isobutyl ester. Succinic acid, 4-methyl-3-nitrobenzyl pentyl ester. Succinic acid, isobutyl 2-methyl-3-nitrobenzyl ester.

Find more compounds similar to Succinic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester.

Sources

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