Chemical Properties of Purine, 6-hydroxy, TMS

InChI

InChI=1S/C8H12N4OSi/c1-14(2,3)13-8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H3,(H,9,10,11,12)

InChI Key

WDSAHFXJSONVER-UHFFFAOYSA-N

Formula

C8H12N4OSi

SMILES

C[Si](C)(C)Oc1ncnc2nc[nH]c12

Molecular Weight¹

208.29

• 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	0.5326		Relay (1.0) Calculated Property
ΔfG°	244.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-96.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	76.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	1.085		Crippen Calculated Property
Pc	2902.56	kPa	Relay (1.0-beta) Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	572.45	K	Relay (1.0) Calculated Property
Tc	837.86	K	Relay (1.0) Calculated Property
Tfus	444.10	K	Relay (1.0) Calculated Property
Vc	0.610	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Purine, 6-hydroxy, TMS.

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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