Chemical Properties of Pyrimidine, 2,6-diamino-4-hydroxy-5-nitroso, TMS

InChI

InChI=1S/C13H29N5O2Si3/c1-21(2,3)17-11-10(16-19)12(20-23(7,8)9)15-13(14-11)18-22(4,5)6/h1-9H3,(H2,14,15,17,18)

InChI Key

ZSBPRVSMFYVJLD-UHFFFAOYSA-N

Formula

C13H29N5O2Si3

SMILES

C[Si](C)(C)Nc1nc(N[Si](C)(C)C)c(N=O)c(O[Si](C)(C)C)n1

Molecular Weight¹

371.66

• 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	0.8473		Relay (1.0) Calculated Property
ΔfG°	265.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-433.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-4.53		Relay (1.0) Calculated Property
logPoct/wat	4.582		Crippen Calculated Property
Pc	923.68	kPa	Relay (1.0-beta) Calculated Property
Inp	[2102.00; 2102.00]
Inp	2102.00		NIST
Inp	2102.00		NIST
Tboil	564.48	K	Relay (1.0) Calculated Property
Tc	864.75	K	Relay (1.0) Calculated Property
Tfus	420.36	K	Relay (1.0) Calculated Property
Vc	1.153	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 2,6-diamino-4-hydroxy-5-nitroso, 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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