Chemical Properties of 6,8-Diazaspiro[3.5]nonane-5,7,9-trione

InChI

InChI=1S/C7H8N2O3/c10-4-7(2-1-3-7)5(11)9-6(12)8-4/h1-3H2,(H2,8,9,10,11,12)

InChI Key

VQDXQNNYGSEHPU-UHFFFAOYSA-N

Formula

C7H8N2O3

SMILES

O=C1NC(=O)C2(CCC2)C(=O)N1

Molecular Weight¹

168.15

Other Names

• cyclobutyl-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°	-96.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-362.59	kJ/mol	Joback Calculated Property
ΔfusH°	14.20	kJ/mol	Joback Calculated Property
ΔvapH°	56.93	kJ/mol	Joback Calculated Property
log10WS	[-1.66; -1.65]
log10WS	-1.65		Aq. Sol...
log10WS	-1.66		Estimat...
log10WS	-1.66		Rytting...
logPoct/wat	-0.477		Crippen Calculated Property
McVol	112.440	ml/mol	McGowan Calculated Property
Pc	5721.86	kPa	Joback Calculated Property
Tboil	691.32	K	Joback Calculated Property
Tc	983.15	K	Joback Calculated Property
Tfus	636.83	K	Joback Calculated Property
Vc	0.411	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.52; 401.55]	J/mol×K	[691.32; 983.15]
Cp,gas	317.52	J/mol×K	691.32	Joback Calculated Property
Cp,gas	333.24	J/mol×K	739.96	Joback Calculated Property
Cp,gas	348.19	J/mol×K	788.60	Joback Calculated Property
Cp,gas	362.42	J/mol×K	837.23	Joback Calculated Property
Cp,gas	376.01	J/mol×K	885.87	Joback Calculated Property
Cp,gas	389.03	J/mol×K	934.51	Joback Calculated Property
Cp,gas	401.55	J/mol×K	983.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6,8-Diazaspiro[3.5]nonane-5,7,9-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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