Chemical Properties of Guanine, 7-methyl, TMS

InChI

InChI=1S/C12H23N5OSi2/c1-17-8-13-9-10(17)14-12(16-19(2,3)4)15-11(9)18-20(5,6)7/h8H,1-7H3,(H,14,15,16)

InChI Key

WZBOXMAKWFFRLQ-UHFFFAOYSA-N

Formula

C12H23N5OSi2

SMILES

Cn1cnc2c(O[Si](C)(C)C)nc(N[Si](C)(C)C)nc21

Molecular Weight¹

309.51

Other Names

• 7-Methylguanine, 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	0.7010		Relay (1.0) Calculated Property
ΔfG°	335.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-235.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.824		Crippen Calculated Property
Pc	1445.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[2145.00; 2145.00]
Inp	2145.00		NIST
Inp	2145.00		NIST
Tboil	589.43	K	Relay (1.0) Calculated Property
Tc	879.96	K	Relay (1.0) Calculated Property
Tfus	444.02	K	Relay (1.0) Calculated Property
Vc	0.969	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Guanine, 7-methyl, 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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