Chemical Properties of 1H-Purine-2,6,8(3H)-trione, 4,9-dihydro-1,3,4,9-tetrakis(trimethylsilyl)- (CAS 55530-45-5)

InChI

InChI=1S/C17H36N4O3Si4/c1-25(2,3)17-13(18-15(23)20(17)27(7,8)9)14(22)19(26(4,5)6)16(24)21(17)28(10,11)12/h1-12H3

InChI Key

ZLRODCMJWNXARV-UHFFFAOYSA-N

Formula

C17H36N4O3Si4

SMILES

C[Si](C)(C)N1C(=O)C2=NC(=O)N([Si](C)(C)C)C2([Si](C)(C)C)N([Si](C)(C)C)C1=O

Molecular Weight¹

456.83

CAS

55530-45-5

Other Names

• Uric acid, tetra-TMS

• 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.
• 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	0.7159		Relay (1.0) Calculated Property
ΔfG°	75.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-841.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	82.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	4.206		Crippen Calculated Property
Pc	380.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[2110.00; 2141.00]
Inp	2127.00		NIST
Inp	2110.00		NIST
Inp	2141.00		NIST
Inp	2127.00		NIST
Tboil	572.02	K	Relay (1.0) Calculated Property
Tc	898.41	K	Relay (1.0) Calculated Property
Tfus	428.73	K	Relay (1.0) Calculated Property
Vc	1.406	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1H-Purine-2,6,8(3H)-trione, 4,9-dihydro-1,3,4,9-tetrakis(trimethylsilyl)-.

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
• NIST Webbook

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