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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

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, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.01; 311.17]	J/mol×K	[634.11; 908.75]
Cp,gas	242.01	J/mol×K	634.11	Joback Calculated Property
Cp,gas	256.13	J/mol×K	679.88	Joback Calculated Property
Cp,gas	269.47	J/mol×K	725.66	Joback Calculated Property
Cp,gas	281.85	J/mol×K	771.43	Joback Calculated Property
Cp,gas	293.06	J/mol×K	817.20	Joback Calculated Property
Cp,gas	302.90	J/mol×K	862.98	Joback Calculated Property
Cp,gas	311.17	J/mol×K	908.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Methylbarbituric acid.

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
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

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.
These property values are available through the Cheméo API. A free account gives you an access key.