Chemical Properties of Uric acid (CAS 69-93-2)

InChI

InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

InChI Key

LEHOTFFKMJEONL-UHFFFAOYSA-N

Formula

C5H4N4O3

SMILES

O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1

Molecular Weight¹

168.11

CAS

69-93-2

Other Names

• 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-
• 1H-Purine-2,6,8-triol
• 2,6,8-Trihydroxypurine
• 2,6,8-Trioxopurine
• 2,6,8-Trioxypurine
• 7,9-Dihydro-1H-purine-2,6,8(3H)-trione
• 8-Hydroxyxanthine
• Lithic acid
• NSC 3975
• Purine-2,6,8(1H,3H,9H)-trione
• Purine-2,6,8-triol
• Purine-3,6,8(1H,3H,9H)-trione

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	0.6815		Relay (1.0) Calculated Property
ΔcH°solid	[-1924.50; -1920.40]	kJ/mol
ΔcH°solid	-1920.40 ± 0.84	kJ/mol	NIST
ΔcH°solid	-1924.50	kJ/mol	NIST
ΔfG°	-79.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-348.71	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-618.81 ± 0.88	kJ/mol	NIST
ΔvapH°	135.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	NIST
log10WS	[-3.93; -3.70]
log10WS	-3.70		Aq. Solubility Prediction
log10WS	-3.93		Estimated Solubility
logPoct/wat	-3.695		Crippen Calculated Property
McVol	99.920	ml/mol	McGowan Calculated Property
Pc	6624.92	kPa	Relay (1.0-beta) Calculated Property
S°solid,1 bar	173.20	J/mol×K	NIST
Tboil	629.89	K	Relay (1.0) Calculated Property
Tc	1010.35	K	Relay (1.0) Calculated Property
Tfus	646.13	K	Relay (1.0) Calculated Property
Vc	0.376	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Uric 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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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