Chemical Properties of Barbituric acid, 5-ethyl-5-(3-hydroxyisopentyl)- (CAS 1421-07-4)

InChI

InChI=1S/C11H18N2O4/c1-4-11(6-5-10(2,3)17)7(14)12-9(16)13-8(11)15/h17H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChI Key

PUVZPWLDMBLALZ-UHFFFAOYSA-N

Formula

C11H18N2O4

SMILES

CCC1(CCC(C)(C)O)C(=O)NC(=O)NC1=O

Molecular Weight¹

242.27

CAS

1421-07-4

Other Names

• 5-Aethyl-5-(3-hydroxyisoamyl)barbitursaeure
• 5-Ethyl-5-(3-hydroxyisopentyl)barbituric acid
• Faktor I
• 3'-Hydroxyamobarbital

• 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	[608.58; 690.15]	J/mol×K	[860.38; 1100.62]
Cp,gas	608.58	J/mol×K	860.38	Joback Calculated Property
Cp,gas	624.10	J/mol×K	900.42	Joback Calculated Property
Cp,gas	638.79	J/mol×K	940.46	Joback Calculated Property
Cp,gas	652.70	J/mol×K	980.50	Joback Calculated Property
Cp,gas	665.87	J/mol×K	1020.54	Joback Calculated Property
Cp,gas	678.34	J/mol×K	1060.58	Joback Calculated Property
Cp,gas	690.15	J/mol×K	1100.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Barbituric acid, 5-ethyl-5-(3-hydroxyisopentyl)-.

Sources

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

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