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_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.79; 645.28]	J/mol×K	[771.63; 1019.23]
Cp,gas	549.79	J/mol×K	771.63	Joback Calculated Property
Cp,gas	568.06	J/mol×K	812.90	Joback Calculated Property
Cp,gas	585.38	J/mol×K	854.16	Joback Calculated Property
Cp,gas	601.75	J/mol×K	895.43	Joback Calculated Property
Cp,gas	617.18	J/mol×K	936.69	Joback Calculated Property
Cp,gas	631.69	J/mol×K	977.96	Joback Calculated Property
Cp,gas	645.28	J/mol×K	1019.23	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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