Chemical Properties of 6-Azauracil, TMS

InChI

InChI=1S/C9H19N3O2Si2/c1-15(2,3)13-8-7-10-12-9(11-8)14-16(4,5)6/h7H,1-6H3

InChI Key

MNMOUFWORYTNCL-UHFFFAOYSA-N

Formula

C9H19N3O2Si2

SMILES

C[Si](C)(C)Oc1cnnc(O[Si](C)(C)C)n1

Molecular Weight¹

257.44

• 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	0.5618		Relay (1.0) Calculated Property
ΔfG°	128.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-396.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	2.299		Crippen Calculated Property
Pc	1680.11	kPa	Relay (1.0-beta) Calculated Property
Inp	[1449.90; 1454.00]
Inp	1449.90		NIST
Inp	1454.00		NIST
Inp	1449.90		NIST
Tboil	511.97	K	Relay (1.0) Calculated Property
Tc	725.92	K	Relay (1.0) Calculated Property
Tfus	335.34	K	Relay (1.0) Calculated Property
Vc	0.828	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6-Azauracil, 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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