Chemical Properties of Benzenesulfonic acid, 2,4,6-trinitro-, nickel salt

InChI

InChI=1S/2C6H3N3O9S.Ni/c2*10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h2*1-2H,(H,16,17,18);/q;;+2/p-2

InChI Key

IHVKULDRHMYTGA-UHFFFAOYSA-L

Formula

C12H4N6NiO18S2

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1.[Ni]

Molecular Weight¹

643.01

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 Benzenesulfonic acid, 2,4,6-trinitro-, nickel salt.

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.
• NIST Webbook

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