Chemical Properties of 4-Pyridoxic acid, bis(trimethylsilyl) ether, trimethylsilyl ester

InChI

InChI=1S/C17H33NO4Si3/c1-13-16(21-24(5,6)7)15(17(19)22-25(8,9)10)14(11-18-13)12-20-23(2,3)4/h11H,12H2,1-10H3

InChI Key

HSIPISKXEKPCKY-UHFFFAOYSA-N

Formula

C17H33NO4Si3

SMILES

Cc1ncc(CO[Si](C)(C)C)c(C(=O)O[Si](C)(C)C)c1O[Si](C)(C)C

Molecular Weight¹

399.70

Other Names

• Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]-5-pyrrol[(trimethylsilyl)oxy]methylmorphoisonicotinate
• 4-Pyridoxic acid, tris-TMS
• Pyridoxic acid, TMS
• 4-Pyridoxic acid, TMS
• Pyridoxic acid, 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	0.8033		Relay (1.0) Calculated Property
ΔfG°	-276.81	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1009.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	4.947		Crippen Calculated Property
Pc	486.57	kPa	Relay (1.0-beta) Calculated Property
Inp	[1934.70; 1966.00]
Inp	1966.00		NIST
Inp	1934.70		NIST
Inp	1966.00		NIST
Inp	1934.70		NIST
Inp	1966.00		NIST
Tboil	592.82	K	Relay (1.0) Calculated Property
Tc	814.08	K	Relay (1.0) Calculated Property
Tfus	321.35	K	Relay (1.0) Calculated Property
Vc	1.285	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Pyridoxic acid, bis(trimethylsilyl) ether, 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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