Chemical Properties of 5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione (CAS 35305-10-3)

InChI

InChI=1S/C12H14N2O4/c1-2-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14-10(12)17/h6H,2-5H2,1H3,(H2,13,14,16,17,18)

InChI Key

QECKKEAIYXGFLF-UHFFFAOYSA-N

Formula

C12H14N2O4

SMILES

CCC1(C2=CC(=O)CCC2)C(=O)NC(=O)NC1=O

Molecular Weight¹

250.25

CAS

35305-10-3

Other Names

• 3'-Oxocyclobarbital
• Cyclobarbital, (3-oxo)-
• Barbituric acid, 5-ethyl-5-(3-oxo-1-cyclohexen-1-yl)-
• Cyclobarbital M (oxo)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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, Ionization energy 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	[596.27; 675.92]	J/mol×K	[890.69; 1183.33]
Cp,gas	596.27	J/mol×K	890.69	Joback Calculated Property
Cp,gas	614.16	J/mol×K	939.46	Joback Calculated Property
Cp,gas	630.25	J/mol×K	988.24	Joback Calculated Property
Cp,gas	644.52	J/mol×K	1037.01	Joback Calculated Property
Cp,gas	656.91	J/mol×K	1085.79	Joback Calculated Property
Cp,gas	667.40	J/mol×K	1134.56	Joback Calculated Property
Cp,gas	675.92	J/mol×K	1183.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione.

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

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