Chemical Properties of 4-Methylpentan-2-yl 3,5-dinitrobenzoate

4-Methylpentan-2-yl 3,5-dinitrobenzoate

InChI
InChI=1S/C13H16N2O6/c1-8(2)4-9(3)21-13(16)10-5-11(14(17)18)7-12(6-10)15(19)20/h5-9H,4H2,1-3H3
InChI Key
FVIPWDDUSKMZEQ-UHFFFAOYSA-N
Formula
C13H16N2O6
SMILES
CC(C)CC(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
296.28
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Physical Properties

Property Value Unit Source
ΔfusH° 42.73 kJ/mol Joback Calculated Property
IE 10.17 eV Relay (1.0) Calculated Property
log10WS -4.35 Relay (1.0) Calculated Property
logPoct/wat 3.094 Crippen Calculated Property
McVol 212.550 ml/mol McGowan Calculated Property
Inp [2091.00; 2091.00]   Show Hide
Inp 2091.00 NIST
Inp 2091.00 NIST
Tboil 586.81 K Relay (1.0) Calculated Property
Tfus 309.04 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [641.97; 688.98] J/mol×K [894.70; 1143.54] Show Hide
Cp,gas 641.97 J/mol×K 894.70 Joback Calculated Property
Cp,gas 652.81 J/mol×K 936.17 Joback Calculated Property
Cp,gas 662.39 J/mol×K 977.65 Joback Calculated Property
Cp,gas 670.76 J/mol×K 1019.12 Joback Calculated Property
Cp,gas 677.95 J/mol×K 1060.59 Joback Calculated Property
Cp,gas 684.01 J/mol×K 1102.07 Joback Calculated Property
Cp,gas 688.98 J/mol×K 1143.54 Joback Calculated Property

Similar Compounds

Pentan-2-yl 3,5-dinitrobenzoate. Hexan-2-yl 3,5-dinitrobenzoate. Octan-2-yl 3,5-dinitrobenzoate. Decan-2-yl 3,5-dinitrobenzoate. 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate. 3,7-Dimethyloct-6-enyl 3,5-dinitrobenzoate. Isopentyl 3,5-dinitrobenzoate. 2,4-Dimethylpentan-3-yl 3,5-dinitrobenzoate. 3-Methylbutan-2-yl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 1-methylpropyl ester. 3,3-Dimethylbutan-2-yl 3,5-dinitrobenzoate. pentyl 3,5-dinitrobenzoate. hexyl 3,5-dinitrobenzoate. heptyl 3,5-dinitrobenzoate. undecyl 3,5-dinitrobenzoate.

Find more compounds similar to 4-Methylpentan-2-yl 3,5-dinitrobenzoate.

Sources

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