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Predicted properties of the compound entered.

ID AAPDWIHTJOYECL-UHFFFAOYSA-N
Formula C22H36N2O4
IUPAC Name 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H36N2O4/c1-14-15(11-20(2,3)4)18(23(25)26)17(13-22(8,9)10)19(24(27)28)16(14)12-21(5,6)7/h11-13H2,1-10H3
Standard InChIKey (User Input) InChIKey=AAPDWIHTJOYECL-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene | 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitro-benzene | 1-methyl-2,4,6-trineopentyl-3,5-dinitro-benzene | 1-Methyl-2,4,6-trineopentyl-3,5-dinitrobenzene | Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitro-
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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