Chemical Properties of 3-Carbethoxy-2,5-piperazinedione

InChI

InChI=1S/C7H10N2O4/c1-2-13-7(12)5-6(11)8-3-4(10)9-5/h5H,2-3H2,1H3,(H,8,11)(H,9,10)

InChI Key

JGDBWGPIUGDQTO-UHFFFAOYSA-N

Formula

C7H10N2O4

SMILES

CCOC(=O)C1NC(=O)CNC1=O

Molecular Weight¹

186.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[179.16; 434.35]	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			6.30310e+01
Coefficient B			3.72720e-01
Coefficient C			2.65800e-04
Coefficient D			-2.67200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.16	J/mol×K	273.00	Calculated Property
Cp,gas	216.33	J/mol×K	353.78	Calculated Property
Cp,gas	253.27	J/mol×K	434.56	Calculated Property
Cp,gas	289.13	J/mol×K	515.33	Calculated Property
Cp,gas	323.06	J/mol×K	596.11	Calculated Property
Cp,gas	354.24	J/mol×K	676.89	Calculated Property
Cp,gas	381.80	J/mol×K	757.67	Calculated Property
Cp,gas	404.90	J/mol×K	838.44	Calculated Property
Cp,gas	422.70	J/mol×K	919.22	Calculated Property
Cp,gas	434.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Carbethoxy-2,5-piperazinedione.

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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