Chemical Properties of Triazintrione, 1,3,5-triphenyl-

InChI

InChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H

InChI Key

YEACGXMAEGBJSM-UHFFFAOYSA-N

Formula

C21H15N3O3

SMILES

O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1

Molecular Weight¹

357.37

Other Names

• s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-
• Phenyl isocyanate trimer
• Phenyl isocyanurate
• Triphenyl isocyanurate
• 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-
• 1,3,5-Triphenyl-1,3,5-perhydro-triazine-2,4,6-trione
• 1,3,5-Triphenyl-perhydro-1,3,5-triazine-2,4,6-trione
• 1,3,5-Triphenyl-s-triazine-2,4,6-trione
• 1,3,5-Triphenyl-1,3,5-triazine-2,4,6-trione
• Phenyl isocyanate cyclic trimer
• 1,3,5-Triphenyl-2,4,6-triazinetrione
• s-Triazine-2,4,6(1H,3H,5H)-trione, triphenyl-
• 1,3,5-Triphenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
• Triazintrione, 1,3,5-triphenyl-
• 1,3,5-Triphenyl isocyanurate
• N,N',N''-Triphenyl isocyanurate
• NSC 105886
• NSC 82068

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔcH°solid	-10063.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	[-344.00; -344.00]	kJ/mol
ΔfH°solid	-344.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-344.00 ± 3.00	kJ/mol	NIST
IE	8.25	eV	Relay (1.0) Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	259.260	ml/mol	McGowan Calculated Property
Tfus	502.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 Triazintrione, 1,3,5-triphenyl-.

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

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.