Chemical Properties of 3,7-Diazaadamantan-9-one, 1,5-diphenyl- (CAS 19066-35-4)

InChI

InChI=1S/C20H20N2O/c23-18-19(16-7-3-1-4-8-16)11-21-13-20(18,14-22(12-19)15-21)17-9-5-2-6-10-17/h1-10H,11-15H2

InChI Key

XBSYMZDMKDGCCA-UHFFFAOYSA-N

Formula

C20H20N2O

SMILES

O=C1C2(c3ccccc3)CN3CN(C2)CC1(c1ccccc1)C3

Molecular Weight¹

304.39

CAS

19066-35-4

Other Names

• 1,5-Diphenyl-3,7-diazaadmantan-9-one
• 1,3-Diazatricyclo[3.3.1.1

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 3,7-Diazaadamantan-9-one, 1,5-diphenyl-.

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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