Chemical Properties of Uric acid, methylated, # 2

InChI

InChI=1S/C9H12N4O3/c1-12-5-6(13(2)9(12)14)10-8(16-4)11-7(5)15-3/h1-4H3

InChI Key

NMOGPTRUWCBGQL-UHFFFAOYSA-N

Formula

C9H12N4O3

SMILES

COc1nc(OC)c2c(n1)n(C)c(=O)n2C

Molecular Weight¹

224.22

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• 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	0.6999		Relay (1.0) Calculated Property
ΔfG°	141.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-352.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-1.23		Relay (1.0) Calculated Property
logPoct/wat	-0.316		Crippen Calculated Property
McVol	156.280	ml/mol	McGowan Calculated Property
Pc	3105.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[1934.00; 1934.00]
Inp	1934.00		NIST
Inp	1934.00		NIST
Tboil	593.72	K	Relay (1.0) Calculated Property
Tc	879.71	K	Relay (1.0) Calculated Property
Tfus	463.83	K	Relay (1.0) Calculated Property
Vc	0.633	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Uric acid, methylated, # 2.

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
• McGowan Method
• NIST Webbook

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