Chemical Properties of 3,3-Dimethylbutan-2-yl 3,5-dinitrobenzoate

3,3-Dimethylbutan-2-yl 3,5-dinitrobenzoate

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

Property Value Unit Source
Δf -10.69 kJ/mol Joback Calculated Property
Δfgas -378.41 kJ/mol Joback Calculated Property
Δfus 37.26 kJ/mol Joback Calculated Property
Δvap 88.79 kJ/mol Joback Calculated Property
log10WS -4.98 Crippen Calculated Property
logPoct/wat 3.094 Crippen Calculated Property
McVol 212.550 ml/mol McGowan Calculated Property
Pc 2338.29 kPa Joback Calculated Property
Inp [2073.00; 2073.00]   Show Hide
Inp 2073.00 NIST
Inp 2073.00 NIST
Tboil 909.78 K Joback Calculated Property
Tc 1167.22 K Joback Calculated Property
Tfus 634.53 K Joback Calculated Property
Vc 0.827 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [645.65; 696.03] J/mol×K [909.78; 1167.22] Show Hide
Cp,gas 645.65 J/mol×K 909.78 Joback Calculated Property
Cp,gas 656.61 J/mol×K 952.69 Joback Calculated Property
Cp,gas 666.44 J/mol×K 995.59 Joback Calculated Property
Cp,gas 675.22 J/mol×K 1038.50 Joback Calculated Property
Cp,gas 683.03 J/mol×K 1081.41 Joback Calculated Property
Cp,gas 689.94 J/mol×K 1124.31 Joback Calculated Property
Cp,gas 696.03 J/mol×K 1167.22 Joback Calculated Property

Similar Compounds

3-Methylbutan-2-yl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 1-methylpropyl ester. 2,4-Dimethylpentan-3-yl 3,5-dinitrobenzoate. Pentan-2-yl 3,5-dinitrobenzoate. 3-Oxobutan-2-yl 3,5-dinitrobenzoate. Hexan-2-yl 3,5-dinitrobenzoate. 4-Methylpentan-2-yl 3,5-dinitrobenzoate. Octan-2-yl 3,5-dinitrobenzoate. Decan-2-yl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 1-methyl-3-butenyl ester. Neopentyl 3,5-dinitrobenzoate. butyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, isopropyl ester. pentyl 3,5-dinitrobenzoate. hexyl 3,5-dinitrobenzoate.

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

Sources

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