Chemical Properties of Pyrimidine, 2,4,6-tris[(trimethylsilyl)oxy]- (CAS 31111-39-4)

InChI

InChI=1S/C13H28N2O3Si3/c1-19(2,3)16-11-10-12(17-20(4,5)6)15-13(14-11)18-21(7,8)9/h10H,1-9H3

InChI Key

MTDRSUCYKPIFHV-UHFFFAOYSA-N

Formula

C13H28N2O3Si3

SMILES

C[Si](C)(C)Oc1cc(O[Si](C)(C)C)nc(O[Si](C)(C)C)n1

Molecular Weight¹

344.63

CAS

31111-39-4

Other Names

• Pyrimidine, 2,4,6-tris(trimethylsiloxy)-
• 2,4,6-Tris[(trimethylsilyl)oxy]pyrimidine
• Pyrimidine, 2,4,6-trihydroxy, (tris-TMS)-
• Barbituric acid, TMS
• Pyrimidine, 2,4,6-trihydroxy, 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	0.6582		Relay (1.0) Calculated Property
ΔfG°	-47.07	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-864.08	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	4.118		Crippen Calculated Property
Pc	954.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[1592.00; 1600.00]
Inp	1592.00		NIST
Inp	1600.00		NIST
Tboil	531.12	K	Relay (1.0) Calculated Property
Tc	752.91	K	Relay (1.0) Calculated Property
Tfus	327.06	K	Relay (1.0) Calculated Property
Vc	1.143	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 2,4,6-tris[(trimethylsilyl)oxy]-.

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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