Chemical Properties of 5-Pyrimidinecarboxylic acid, 2,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 56804-96-7)

InChI

InChI=1S/C14H28N2O4Si3/c1-21(2,3)18-12-11(13(17)19-22(4,5)6)10-15-14(16-12)20-23(7,8)9/h10H,1-9H3

InChI Key

XIVCUMXZIQOLKK-UHFFFAOYSA-N

Formula

C14H28N2O4Si3

SMILES

C[Si](C)(C)OC(=O)c1cnc(O[Si](C)(C)C)nc1O[Si](C)(C)C

Molecular Weight¹

372.64

CAS

56804-96-7

Other Names

• Pyrimidin-5-carboxylic acid, 2,4-dihydroxy, 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	0.7546		Relay (1.0) Calculated Property
ΔfG°	-190.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1017.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-3.37		Relay (1.0) Calculated Property
logPoct/wat	3.896		Crippen Calculated Property
Pc	758.82	kPa	Relay (1.0-beta) Calculated Property
Inp	[1780.00; 1780.00]
Inp	1780.00		NIST
Inp	1780.00		NIST
Tboil	560.52	K	Relay (1.0) Calculated Property
Tc	798.52	K	Relay (1.0) Calculated Property
Tfus	333.10	K	Relay (1.0) Calculated Property
Vc	1.190	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5-Pyrimidinecarboxylic acid, 2,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester.

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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