Chemical Properties of 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione

InChI

InChI=1S/C13H22N2O3/c1-3-5-6-7-8-9-13(4-2)10(16)14-12(18)15-11(13)17/h3-9H2,1-2H3,(H2,14,15,16,17,18)

InChI Key

FLJQERBDKWFELA-UHFFFAOYSA-N

Formula

C13H22N2O3

SMILES

CCCCCCCC1(CC)C(=O)NC(=O)NC1=O

Molecular Weight¹

254.33

• ω : Acentric Factor.
• 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).
• 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).
• 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	[663.69; 762.03]	J/mol×K	[817.19; 1055.63]
Cp,gas	663.69	J/mol×K	817.19	Joback Calculated Property
Cp,gas	682.59	J/mol×K	856.93	Joback Calculated Property
Cp,gas	700.46	J/mol×K	896.67	Joback Calculated Property
Cp,gas	717.32	J/mol×K	936.41	Joback Calculated Property
Cp,gas	733.19	J/mol×K	976.15	Joback Calculated Property
Cp,gas	748.09	J/mol×K	1015.89	Joback Calculated Property
Cp,gas	762.03	J/mol×K	1055.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

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