Chemical Properties of Pyrimidine, 4-hydroxy-6-amino-5-hydroxyacetamino, TMS

InChI

InChI=1S/C14H30N4O3Si3/c1-22(2,3)18-12-11(17-14(19)21-24(7,8)9)13(16-10-15-12)20-23(4,5)6/h10H,1-9H3,(H,17,19)(H,15,16,18)

InChI Key

OSFARNFAJOIHOA-UHFFFAOYSA-N

Formula

C14H30N4O3Si3

SMILES

C[Si](C)(C)Nc1ncnc(O[Si](C)(C)C)c1N=C(O)O[Si](C)(C)C

Molecular Weight¹

386.67

• 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	0.9821		Relay (1.0) Calculated Property
ΔfG°	48.19	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-779.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	96.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	4.334		Crippen Calculated Property
Pc	960.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[1967.00; 1967.00]
Inp	1967.00		NIST
Inp	1967.00		NIST
Tboil	572.66	K	Relay (1.0) Calculated Property
Tc	862.66	K	Relay (1.0) Calculated Property
Tfus	386.28	K	Relay (1.0) Calculated Property
Vc	1.186	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 4-hydroxy-6-amino-5-hydroxyacetamino, 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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