Chemical Properties of 1,3-Diazaspiro(4.4)nonane-2,4-dione (CAS 699-51-4)

InChI

InChI=1S/C7H10N2O2/c10-5-7(3-1-2-4-7)9-6(11)8-5/h1-4H2,(H2,8,9,10,11)

InChI Key

JTTFXYHJDZZDQK-UHFFFAOYSA-N

Formula

C7H10N2O2

SMILES

O=C1NC(=O)C2(CCCC2)N1

Molecular Weight¹

154.17

CAS

699-51-4

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[133.18; 406.65]	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			-6.85500e+01
Coefficient B			8.96800e-01
Coefficient C			-6.37000e-04
Coefficient D			2.15400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.18	J/mol×K	273.00	Calculated Property
Cp,gas	178.53	J/mol×K	353.78	Calculated Property
Cp,gas	218.55	J/mol×K	434.56	Calculated Property
Cp,gas	253.91	J/mol×K	515.33	Calculated Property
Cp,gas	285.31	J/mol×K	596.11	Calculated Property
Cp,gas	313.43	J/mol×K	676.89	Calculated Property
Cp,gas	338.94	J/mol×K	757.67	Calculated Property
Cp,gas	362.52	J/mol×K	838.44	Calculated Property
Cp,gas	384.87	J/mol×K	919.22	Calculated Property
Cp,gas	406.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diazaspiro(4.4)nonane-2,4-dione.

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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