Chemical Properties of 2,4-diazaspiro[5.5]undecane-1,3,5-trione

InChI

InChI=1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)

InChI Key

NBLIVIWUPTWDMD-UHFFFAOYSA-N

Formula

C9H12N2O3

SMILES

O=C1NC(=O)C2(CCCCC2)C(=O)N1

Molecular Weight¹

196.21

Other Names

• cyclohexyl-5-spirobarbituric acid

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	-104.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-416.19	kJ/mol	Joback Calculated Property
ΔfusH°	15.18	kJ/mol	Joback Calculated Property
ΔvapH°	61.73	kJ/mol	Joback Calculated Property
log10WS	[-3.06; -3.06]
log10WS	-3.06		Aq. Sol...
log10WS	-3.06		Estimat...
log10WS	-3.06		Rytting...
logPoct/wat	0.303		Crippen Calculated Property
McVol	140.620	ml/mol	McGowan Calculated Property
Pc	4665.71	kPa	Joback Calculated Property
Tboil	745.62	K	Joback Calculated Property
Tc	1041.00	K	Joback Calculated Property
Tfus	652.33	K	Joback Calculated Property
Vc	0.507	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[426.50; 523.67]	J/mol×K	[745.62; 1041.00]
Cp,gas	426.50	J/mol×K	745.62	Joback Calculated Property
Cp,gas	445.57	J/mol×K	794.85	Joback Calculated Property
Cp,gas	463.43	J/mol×K	844.08	Joback Calculated Property
Cp,gas	480.12	J/mol×K	893.31	Joback Calculated Property
Cp,gas	495.70	J/mol×K	942.54	Joback Calculated Property
Cp,gas	510.20	J/mol×K	991.77	Joback Calculated Property
Cp,gas	523.67	J/mol×K	1041.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

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