Chemical Properties of 5-Ethyl-5-pentylbarbituric acid

InChI

InChI=1S/C11H18N2O3/c1-3-5-6-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)

InChI Key

XYGXSCVUMIDZRR-UHFFFAOYSA-N

Formula

C11H18N2O3

SMILES

CCCCCC1(CC)C(=O)NC(=O)NC1=O

Molecular Weight¹

226.28

• 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	[549.70; 645.20]	J/mol×K	[771.43; 1018.96]
Cp,gas	549.70	J/mol×K	771.43	Joback Calculated Property
Cp,gas	567.97	J/mol×K	812.69	Joback Calculated Property
Cp,gas	585.29	J/mol×K	853.94	Joback Calculated Property
Cp,gas	601.66	J/mol×K	895.20	Joback Calculated Property
Cp,gas	617.09	J/mol×K	936.45	Joback Calculated Property
Cp,gas	631.61	J/mol×K	977.71	Joback Calculated Property
Cp,gas	645.20	J/mol×K	1018.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Ethyl-5-pentylbarbituric acid.

Sources

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

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