Chemical Properties of 5,5-dimethylbarbituric acid

InChI

InChI=1S/C6H8N2O3/c1-6(2)3(9)7-5(11)8-4(6)10/h1-2H3,(H2,7,8,9,10,11)

InChI Key

LAOZSCRCYVBSJA-UHFFFAOYSA-N

Formula

C6H8N2O3

SMILES

CC1(C)C(=O)NC(=O)NC1=O

Molecular Weight¹

156.14

• 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°	-173.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-435.09	kJ/mol	Joback Calculated Property
ΔfusH°	14.54	kJ/mol	Joback Calculated Property
ΔvapH°	54.48	kJ/mol	Joback Calculated Property
log10WS	[-1.74; -1.74]
log10WS	-1.74		Aq. Sol...
log10WS	-1.74		Estimat...
log10WS	-1.74		Rytting...
logPoct/wat	-0.621		Crippen Calculated Property
McVol	109.210	ml/mol	McGowan Calculated Property
Pc	5183.17	kPa	Joback Calculated Property
Tboil	657.03	K	Joback Calculated Property
Tc	936.00	K	Joback Calculated Property
Tfus	603.38	K	Joback Calculated Property
Vc	0.398	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[286.98; 366.38]	J/mol×K	[657.03; 936.00]
Cp,gas	286.98	J/mol×K	657.03	Joback Calculated Property
Cp,gas	301.81	J/mol×K	703.53	Joback Calculated Property
Cp,gas	316.03	J/mol×K	750.02	Joback Calculated Property
Cp,gas	329.63	J/mol×K	796.52	Joback Calculated Property
Cp,gas	342.56	J/mol×K	843.01	Joback Calculated Property
Cp,gas	354.82	J/mol×K	889.51	Joback Calculated Property
Cp,gas	366.38	J/mol×K	936.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,5-dimethylbarbituric acid.

Sources

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

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