Chemical Properties of Neopentyl 3,5-dinitrobenzoate

Neopentyl 3,5-dinitrobenzoate

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InChI
InChI=1S/C12H14N2O6/c1-12(2,3)7-20-11(15)8-4-9(13(16)17)6-10(5-8)14(18)19/h4-6H,7H2,1-3H3
InChI Key
KTDNZFJHYUNSJU-UHFFFAOYSA-N
Formula
C12H14N2O6
SMILES
CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
282.25
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Physical Properties

Property Value Unit Source
Δf -16.67 kJ/mol Joback Calculated Property
Δfgas -352.49 kJ/mol Joback Calculated Property
Δfus 38.19 kJ/mol Joback Calculated Property
Δvap 86.95 kJ/mol Joback Calculated Property
log10WS -4.45 Crippen Calculated Property
logPoct/wat 2.706 Crippen Calculated Property
McVol 198.460 ml/mol McGowan Calculated Property
Pc 2550.76 kPa Joback Calculated Property
Inp [2010.00; 2010.00]   Show Hide
Inp 2010.00 NIST
Inp 2010.00 NIST
Tboil 887.34 K Joback Calculated Property
Tc 1145.22 K Joback Calculated Property
Tfus 638.26 K Joback Calculated Property
Vc 0.776 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [589.87; 638.44] J/mol×K [887.34; 1145.22] Show Hide
Cp,gas 589.87 J/mol×K 887.34 Joback Calculated Property
Cp,gas 600.42 J/mol×K 930.32 Joback Calculated Property
Cp,gas 609.89 J/mol×K 973.30 Joback Calculated Property
Cp,gas 618.35 J/mol×K 1016.28 Joback Calculated Property
Cp,gas 625.88 J/mol×K 1059.26 Joback Calculated Property
Cp,gas 632.55 J/mol×K 1102.24 Joback Calculated Property
Cp,gas 638.44 J/mol×K 1145.22 Joback Calculated Property

Similar Compounds

Benzoic acid, 3,5-dinitro, 2-methylpropyl ester. propyl 3,5-dinitrobenzoate. Prop-2-ynyl 3,5-dinitrobenzoate. 3,3-Dimethylbutan-2-yl 3,5-dinitrobenzoate. butyl 3,5-dinitrobenzoate. 2,2,2-Trichloroethyl 3,5-dinitrobenzoate. Ethyl 3,5-dinitrobenzoate. 2-Chloroethyl 3,5-dinitrobenzoate. 2,2-Dichloroethyl 3,5-dinitrobenzoate. Methyl 3,5-dinitrobenzoate. pentyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, allyl ester. Benzoic acid, 3,5-dinitro, 1-methylpropyl ester. hexyl 3,5-dinitrobenzoate. Ethylene glycol bis(3,5-dinitrobenzoate).

Find more compounds similar to Neopentyl 3,5-dinitrobenzoate.

Sources

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