Chemical Properties of 7,9-diazaspiro[4.5]decane-6,8,10-trione

InChI

InChI=1S/C8H10N2O3/c11-5-8(3-1-2-4-8)6(12)10-7(13)9-5/h1-4H2,(H2,9,10,11,12,13)

InChI Key

HYPRUQJUBWRVEM-UHFFFAOYSA-N

Formula

C8H10N2O3

SMILES

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

Molecular Weight¹

182.18

Other Names

• cyclopentyl-5-spirobarbituric acid

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.5424		Relay (1.0) Calculated Property
ΔfG°	-100.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-529.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.69	kJ/mol	Joback Calculated Property
ΔvapH°	90.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	[-2.35; -2.35]
log10WS	-2.35		Aq. Solubility Prediction
log10WS	-2.35		Estimated Solubility
log10WS	-2.35		Rytting (2005)
logPoct/wat	-0.087		Crippen Calculated Property
McVol	126.530	ml/mol	McGowan Calculated Property
Pc	5153.45	kPa	Joback Calculated Property
Tboil	579.12	K	Relay (1.0) Calculated Property
Tc	854.79	K	Relay (1.0) Calculated Property
Tfus	527.26	K	Relay (1.0) Calculated Property
Vc	0.423	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.92; 462.36]	J/mol×K	[718.47; 1012.20]
Cp,gas	370.92	J/mol×K	718.47	Joback Calculated Property
Cp,gas	388.44	J/mol×K	767.42	Joback Calculated Property
Cp,gas	404.97	J/mol×K	816.38	Joback Calculated Property
Cp,gas	420.56	J/mol×K	865.33	Joback Calculated Property
Cp,gas	435.29	J/mol×K	914.29	Joback Calculated Property
Cp,gas	449.20	J/mol×K	963.24	Joback Calculated Property
Cp,gas	462.36	J/mol×K	1012.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7,9-diazaspiro[4.5]decane-6,8,10-trione.

Sources

• Cheméo Relay (1.0)
• 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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