Chemical Properties of 5-Vanillylidene barbituric acid (CAS 40367-32-6)

InChI

InChI=1S/C12H10N2O5/c1-19-9-5-6(2-3-8(9)15)4-7-10(16)13-12(18)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,18)

InChI Key

HOHGWOUABYDGBN-UHFFFAOYSA-N

Formula

C12H10N2O5

SMILES

COc1cc(C=C2C(O)=NC(=O)N=C2O)ccc1O

Molecular Weight¹

262.22

CAS

40367-32-6

• 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).
• 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	[580.59; 600.91]	J/mol×K	[1007.38; 1252.10]
Cp,gas	580.59	J/mol×K	1007.38	Joback Calculated Property
Cp,gas	587.10	J/mol×K	1048.17	Joback Calculated Property
Cp,gas	592.36	J/mol×K	1088.95	Joback Calculated Property
Cp,gas	596.38	J/mol×K	1129.74	Joback Calculated Property
Cp,gas	599.15	J/mol×K	1170.53	Joback Calculated Property
Cp,gas	600.66	J/mol×K	1211.31	Joback Calculated Property
Cp,gas	600.91	J/mol×K	1252.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Vanillylidene barbituric acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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