Chemical Properties of 5-Nonyl-5-ethylbarbituric acid

InChI

InChI=1S/C15H26N2O3/c1-3-5-6-7-8-9-10-11-15(4-2)12(18)16-14(20)17-13(15)19/h3-11H2,1-2H3,(H2,16,17,18,19,20)

InChI Key

KMXPZGOJCXKDSG-UHFFFAOYSA-N

Formula

C15H26N2O3

SMILES

CCCCCCCCCC1(CC)C(=O)NC(=O)NC1=O

Molecular Weight¹

282.38

• 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	[781.77; 881.83]	J/mol×K	[862.95; 1094.68]
Cp,gas	781.77	J/mol×K	862.95	Joback Calculated Property
Cp,gas	801.08	J/mol×K	901.57	Joback Calculated Property
Cp,gas	819.30	J/mol×K	940.19	Joback Calculated Property
Cp,gas	836.46	J/mol×K	978.81	Joback Calculated Property
Cp,gas	852.58	J/mol×K	1017.44	Joback Calculated Property
Cp,gas	867.70	J/mol×K	1056.06	Joback Calculated Property
Cp,gas	881.83	J/mol×K	1094.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Nonyl-5-ethylbarbituric acid.

Sources

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

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