Chemical Properties of Cyclo-tris(diphenoxyphosphonitrile)

InChI

InChI=1S/C36H30N3O6P3/c1-7-19-31(20-8-1)40-46(41-32-21-9-2-10-22-32)37-47(42-33-23-11-3-12-24-33,43-34-25-13-4-14-26-34)39-48(38-46,44-35-27-15-5-16-28-35)45-36-29-17-6-18-30-36/h1-30H

InChI Key

RNFJDJUURJAICM-UHFFFAOYSA-N

Formula

C36H30N3O6P3

SMILES

c1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=N2)cc1

Molecular Weight¹

693.57

Other Names

• 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexaphenoxy-1,3,5,2,4,6-triazatriphosphorine
• 2,2,4,4,6,6-hexaphenoxy-1,3,5,2.lambda.5,4.lambda.5,6.lambda.5-triazatriphosphinine

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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 Cyclo-tris(diphenoxyphosphonitrile).

Mixtures

• Ethanol + Cyclo-tris(diphenoxyphosphonitrile)
• Ethyl Acetate + Cyclo-tris(diphenoxyphosphonitrile)
• Tetrahydrofuran + Cyclo-tris(diphenoxyphosphonitrile)
• Acetone + Cyclo-tris(diphenoxyphosphonitrile)
• Methylene chloride + Cyclo-tris(diphenoxyphosphonitrile)
• Acetonitrile + Cyclo-tris(diphenoxyphosphonitrile)
• Ethanol, 2-ethoxy- + Cyclo-tris(diphenoxyphosphonitrile)
• Toluene + Cyclo-tris(diphenoxyphosphonitrile)
• Heptane + Cyclo-tris(diphenoxyphosphonitrile)
• Ethyl ether + Cyclo-tris(diphenoxyphosphonitrile)

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
• Solubilities of Phenylphosphinic Acid, Methylphenylphosphinic Acid, Hexachlorocyclotriphosphazene, and Hexaphenoxycyclotriphosphazene in Selected Solvents
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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