Chemical Properties of 1,3,7,9-Tetramethyluric acid (CAS 2309-49-1)

InChI

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

InChI Key

QGDOQULISIQFHQ-UHFFFAOYSA-N

Formula

C9H12N4O3

SMILES

Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C

Molecular Weight¹

224.22

CAS

2309-49-1

Other Names

• Tetramethyl uric acid
• 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-
• Ba 2750
• Temorine
• Temurin
• Uric acid, 1,3,7,9-tetramethyl-

• 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	0.7432		Relay (1.0) Calculated Property
ΔfG°	97.31	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-397.47	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	93.55	kJ/mol	Relay (1.0) Calculated Property
IE	[7.90; 7.91]	eV
IE	7.91	eV	NIST
IE	7.90 ± 0.10	eV	NIST
log10WS	-0.44		Relay (1.0) Calculated Property
logPoct/wat	-1.726		Crippen Calculated Property
McVol	156.280	ml/mol	McGowan Calculated Property
Pc	3016.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[2183.00; 2183.00]
Inp	2183.00		NIST
Inp	2183.00		NIST
Tboil	602.91	K	Relay (1.0) Calculated Property
Tc	918.79	K	Relay (1.0) Calculated Property
Tfus	558.50	K	Relay (1.0) Calculated Property
Vc	0.637	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,3,7,9-Tetramethyluric acid.

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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