Chemical Properties of 5-Piperonylidenebarbituric acid (CAS 4551-03-5)

InChI

InChI=1S/C12H8N2O5/c15-10-7(11(16)14-12(17)13-10)3-6-1-2-8-9(4-6)19-5-18-8/h1-4H,5H2,(H2,13,14,15,16,17)

InChI Key

NSJGTQPGBBWIIQ-UHFFFAOYSA-N

Formula

C12H8N2O5

SMILES

O=C1N=C(O)C(=Cc2ccc3c(c2)OCO3)C(O)=N1

Molecular Weight¹

260.20

CAS

4551-03-5

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[543.37; 562.00]	J/mol×K	[974.63; 1220.87]
Cp,gas	543.37	J/mol×K	974.63	Joback Calculated Property
Cp,gas	549.71	J/mol×K	1015.67	Joback Calculated Property
Cp,gas	554.74	J/mol×K	1056.71	Joback Calculated Property
Cp,gas	558.47	J/mol×K	1097.75	Joback Calculated Property
Cp,gas	560.89	J/mol×K	1138.79	Joback Calculated Property
Cp,gas	562.00	J/mol×K	1179.83	Joback Calculated Property
Cp,gas	561.81	J/mol×K	1220.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Piperonylidenebarbituric 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
• Crippen Method
• Joback 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.
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