Chemical Properties of 9H-Purine, 9-(trimethylsilyl)-6-[(trimethylsilyl)oxy]- (CAS 17962-89-9)

InChI

InChI=1S/C11H20N4OSi2/c1-17(2,3)15-8-14-9-10(15)12-7-13-11(9)16-18(4,5)6/h7-8H,1-6H3

InChI Key

GQQMYRBRLIEVPC-UHFFFAOYSA-N

Formula

C11H20N4OSi2

SMILES

C[Si](C)(C)Oc1ncnc2c1ncn2[Si](C)(C)C

Molecular Weight¹

280.47

CAS

17962-89-9

Other Names

• 9H-Purine, 6-(trimethylsiloxy)-9-(trimethylsilyl)-
• O6,9-Bis(trimethylsilyl)hypoxanthine
• Hypoxanthine di-TMS
• 9-(Trimethylsilyl)-6-[(trimethylsilyl)oxy]-9H-purine
• Hypoxanthine, bis-TMS
• hypoxanthine, TMS
• 9H-purin-6-ol, 2tms derivative

• 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	0.6071		Relay (1.0) Calculated Property
ΔfG°	286.13	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-207.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	2.723		Crippen Calculated Property
Pc	1681.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[1792.00; 1812.20]
Inp	1798.00		NIST
Inp	1793.00		NIST
Inp	1796.00		NIST
Inp	1794.00		NIST
Inp	1812.20		NIST
Inp	1809.60		NIST
Inp	1792.00		NIST
Inp	1793.00		NIST
Inp	1794.00		NIST
Inp	1812.20		NIST
Inp	1798.00		NIST
Tboil	565.43	K	Relay (1.0) Calculated Property
Tc	843.02	K	Relay (1.0) Calculated Property
Tfus	387.91	K	Relay (1.0) Calculated Property
Vc	0.882	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 9H-Purine, 9-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-.

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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