Chemical Properties of 5-Methylbarbituric acid

InChI

InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)

InChI Key

GOMAEJQBTWAPAN-UHFFFAOYSA-N

Formula

C5H6N2O3

SMILES

CC1C(=O)NC(=O)NC1=O

Molecular Weight¹

142.11

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.95; 311.12]	J/mol×K	[633.91; 908.47]
Cp,gas	241.95	J/mol×K	633.91	Joback Calculated Property
Cp,gas	256.06	J/mol×K	679.67	Joback Calculated Property
Cp,gas	269.41	J/mol×K	725.43	Joback Calculated Property
Cp,gas	281.79	J/mol×K	771.19	Joback Calculated Property
Cp,gas	293.00	J/mol×K	816.95	Joback Calculated Property
Cp,gas	302.84	J/mol×K	862.71	Joback Calculated Property
Cp,gas	311.12	J/mol×K	908.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Methylbarbituric acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

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