Chemical Properties of 1-(2,4,6-Trinitrophenyl)piperidine (CAS 67263-27-8)

InChI

InChI=1S/C11H12N4O6/c16-13(17)8-6-9(14(18)19)11(10(7-8)15(20)21)12-4-2-1-3-5-12/h6-7H,1-5H2

InChI Key

PELVDFPFGQPDGS-UHFFFAOYSA-N

Formula

C11H12N4O6

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1

Molecular Weight¹

296.24

CAS

67263-27-8

Other Names

• N-(2,4,6-trinitrophenyl)piperidine

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

Find more compounds similar to 1-(2,4,6-Trinitrophenyl)piperidine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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