Chemical Properties of 5-Bromo-2,4-bis[(trimethylsilyl)oxy]pyrimidine

InChI

InChI=1S/C10H19BrN2O2Si2/c1-16(2,3)14-9-8(11)7-12-10(13-9)15-17(4,5)6/h7H,1-6H3

InChI Key

YKWXYMHPDZTFOY-UHFFFAOYSA-N

Formula

C10H19BrN2O2Si2

SMILES

C[Si](C)(C)Oc1ncc(Br)c(O[Si](C)(C)C)n1

Molecular Weight¹

335.35

Other Names

• Uracil, 5-bromo, TMS
• 5-Bromouracil, 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	0.5599		Relay (1.0) Calculated Property
ΔfG°	35.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-507.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	3.666		Crippen Calculated Property
Pc	1541.88	kPa	Relay (1.0-beta) Calculated Property
Inp	[1529.10; 1533.00]
Inp	1529.10		NIST
Inp	1529.10		NIST
Inp	1532.00		NIST
Inp	1533.00		NIST
Inp	1531.20		NIST
Inp	1531.20		NIST
Tboil	522.69	K	Relay (1.0) Calculated Property
Tc	772.75	K	Relay (1.0) Calculated Property
Tfus	331.76	K	Relay (1.0) Calculated Property
Vc	0.878	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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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