Chemical Properties of Pyrimidine, 2,4-bis[(trimethylsilyl)oxy]-5-[[(trimethylsilyl)oxy]methyl]- (CAS 31517-04-1)

InChI

InChI=1S/C14H30N2O3Si3/c1-20(2,3)17-11-12-10-15-14(19-22(7,8)9)16-13(12)18-21(4,5)6/h10H,11H2,1-9H3

InChI Key

WLZGOJADQDKHBW-UHFFFAOYSA-N

Formula

C14H30N2O3Si3

SMILES

C[Si](C)(C)OCc1cnc(O[Si](C)(C)C)nc1O[Si](C)(C)C

Molecular Weight¹

358.66

CAS

31517-04-1

Other Names

• Pyrimidine, 2,4-bis(trimethylsiloxy)-5-[(trimethylsiloxy)methyl]-
• 2,4-Bis[(trimethylsilyl)oxy]-5-([(trimethylsilyl)oxy]methyl)pyrimidine
• 5-Hydroxymethyluracil, tris-TMS
• 5-Hydroxymethyluracil, TMS
• Pyrimidine, 2,4-dihydroxy-5-hydroxymethyl, TMS
• 5-Hydroxymethyluracil, 3tms derivative

• 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	0.6834		Relay (1.0) Calculated Property
ΔfG°	-24.44	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-828.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-2.39		Relay (1.0) Calculated Property
logPoct/wat	4.255		Crippen Calculated Property
Pc	882.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[1664.00; 1686.00]
Inp	1673.00		NIST
Inp	1664.00		NIST
Inp	1674.00		NIST
Inp	1686.00		NIST
Inp	1674.00		NIST
Tboil	549.78	K	Relay (1.0) Calculated Property
Tc	774.33	K	Relay (1.0) Calculated Property
Tfus	298.84	K	Relay (1.0) Calculated Property
Vc	1.177	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 2,4-bis[(trimethylsilyl)oxy]-5-[[(trimethylsilyl)oxy]methyl]-.

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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