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

• 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	[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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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