Chemical Properties of Hexaphenylisomelamine (CAS 604-45-5)

InChI

InChI=1S/C39H30N6/c1-7-19-31(20-8-1)40-37-43(34-25-13-4-14-26-34)38(41-32-21-9-2-10-22-32)45(36-29-17-6-18-30-36)39(42-33-23-11-3-12-24-33)44(37)35-27-15-5-16-28-35/h1-30H

InChI Key

MBZKVOZDQXHTIK-UHFFFAOYSA-N

Formula

C39H30N6

SMILES

c1ccc(N=c2n(-c3ccccc3)c(=Nc3ccccc3)n(-c3ccccc3)c(=Nc3ccccc3)n2-c2ccccc2)cc1

Molecular Weight¹

582.70

CAS

604-45-5

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Hexaphenylisomelamine.

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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