Chemical Properties of 2,4-Imidazolidinedione, 1,3-dimethyl-5,5-diphenyl- (CAS 6456-01-5)

InChI

InChI=1S/C17H16N2O2/c1-18-15(20)17(19(2)16(18)21,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3

InChI Key

AQYFZMVWTWUJKL-UHFFFAOYSA-N

Formula

C17H16N2O2

SMILES

CN1C(=O)N(C)C(c2ccccc2)(c2ccccc2)C1=O

Molecular Weight¹

280.32

CAS

6456-01-5

Other Names

• Hydantoin, 1,3-dimethyl-5,5-diphenyl-
• N,N'-Dimethyldiphenylhydantoin
• 1,3-Dimethyl-5,5-diphenylhydantoin
• Dimethyl derivative of phenytoin
• 1,3-Dimethyl derivative of 5,5-Diphenylhydantoin
• Phenytoin di-methyl derivative
• 1,3-Dimethyl-5,5-diphenyl-2,4-imidazolidinedione
• Phenytoin di-Me
• Phenytoin, methylated
• Phenytoin permethylated
• Phenytoin Me

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5613		Relay (1.0) Calculated Property
ΔfG°	212.58	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-48.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	95.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	2.454		Crippen Calculated Property
McVol	215.110	ml/mol	McGowan Calculated Property
Pc	2031.65	kPa	Relay (1.0-beta) Calculated Property
Inp	[2169.00; 2264.00]
Inp	2213.00		NIST
Inp	2264.00		NIST
Inp	2169.00		NIST
Inp	2264.00		NIST
Inp	2169.00		NIST
Inp	2213.00		NIST
Tboil	631.44	K	Relay (1.0) Calculated Property
Tc	957.58	K	Relay (1.0) Calculated Property
Tfus	426.41	K	Relay (1.0) Calculated Property
Vc	0.772	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Imidazolidinedione, 1,3-dimethyl-5,5-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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