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

InChI

InChI=1S/C14H24N2O3/c1-3-5-6-7-8-9-10-14(4-2)11(17)15-13(19)16-12(14)18/h3-10H2,1-2H3,(H2,15,16,17,18,19)

InChI Key

NTYYDJWPKCQQIB-UHFFFAOYSA-N

Formula

C14H24N2O3

SMILES

CCCCCCCCC1(CC)C(=O)NC(=O)NC1=O

Molecular Weight¹

268.36

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.76; 793.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.76980e+01
Coefficient B			1.21614e+00
Coefficient C			-4.98200e-04
Coefficient D			5.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.76	J/mol×K	273.00	Calculated Property
Cp,gas	388.16	J/mol×K	353.78	Calculated Property
Cp,gas	456.87	J/mol×K	434.56	Calculated Property
Cp,gas	520.07	J/mol×K	515.33	Calculated Property
Cp,gas	577.95	J/mol×K	596.11	Calculated Property
Cp,gas	630.68	J/mol×K	676.89	Calculated Property
Cp,gas	678.44	J/mol×K	757.67	Calculated Property
Cp,gas	721.44	J/mol×K	838.44	Calculated Property
Cp,gas	759.84	J/mol×K	919.22	Calculated Property
Cp,gas	793.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5-ethyl-5-octyl-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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