Chemical Properties of 3-Pyridinecarboxylic acid, 6-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 36972-82-4)

InChI

InChI=1S/C12H21NO3Si2/c1-17(2,3)15-11-8-7-10(9-13-11)12(14)16-18(4,5)6/h7-9H,1-6H3

InChI Key

PKMMPWFEAYNEKL-UHFFFAOYSA-N

Formula

C12H21NO3Si2

SMILES

C[Si](C)(C)OC(=O)c1ccc(O[Si](C)(C)C)nc1

Molecular Weight¹

283.47

CAS

36972-82-4

Other Names

• 6-Hydroxynicotinic acid, trimethylsilyl ether, trimethylsilyl ester
• Trimethylsilyl 6-[(trimethylsilyl)oxy]nicotinate
• 6-Hydroxynicotinic acid, 2tms 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	0.6407		Relay (1.0) Calculated Property
ΔfG°	-177.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-726.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	3.287		Crippen Calculated Property
Pc	1361.87	kPa	Relay (1.0-beta) Calculated Property
Inp	[1569.90; 1569.90]
Inp	1569.90		NIST
Inp	1569.90		NIST
Tboil	549.33	K	Relay (1.0) Calculated Property
Tc	756.00	K	Relay (1.0) Calculated Property
Tfus	325.42	K	Relay (1.0) Calculated Property
Vc	0.893	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Pyridinecarboxylic acid, 6-[(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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