Chemical Properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-diethyl-3-methyl-5-phenyl- (CAS 55255-46-4)

InChI

InChI=1S/C15H18N2O3/c1-4-15(11-9-7-6-8-10-11)12(18)16(3)14(20)17(5-2)13(15)19/h6-10H,4-5H2,1-3H3

InChI Key

MKNZJVPKBDCKQB-UHFFFAOYSA-N

Formula

C15H18N2O3

SMILES

CCN1C(=O)N(C)C(=O)C(CC)(c2ccccc2)C1=O

Molecular Weight¹

274.31

CAS

55255-46-4

Other Names

• N-Ethylmethobarbital
• Mephobarbital perethylated

• 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	0.6132		Relay (1.0) Calculated Property
ΔfG°	-47.56	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-428.29	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	1.775		Crippen Calculated Property
McVol	212.260	ml/mol	McGowan Calculated Property
Pc	1778.68	kPa	Relay (1.0-beta) Calculated Property
Inp	[1904.00; 1904.00]
Inp	1904.00		NIST
Inp	1904.00		NIST
Tboil	609.08	K	Relay (1.0) Calculated Property
Tc	890.60	K	Relay (1.0) Calculated Property
Tfus	385.56	K	Relay (1.0) Calculated Property
Vc	0.757	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-diethyl-3-methyl-5-phenyl-.

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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