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

• 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	[663.79; 762.12]	J/mol×K	[817.39; 1055.89]
Cp,gas	663.79	J/mol×K	817.39	Joback Calculated Property
Cp,gas	682.68	J/mol×K	857.14	Joback Calculated Property
Cp,gas	700.55	J/mol×K	896.89	Joback Calculated Property
Cp,gas	717.41	J/mol×K	936.64	Joback Calculated Property
Cp,gas	733.28	J/mol×K	976.39	Joback Calculated Property
Cp,gas	748.18	J/mol×K	1016.14	Joback Calculated Property
Cp,gas	762.12	J/mol×K	1055.89	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)
• 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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