Chemical Properties of Picolinic acid, trimethylsilyl ester (CAS 17881-49-1)

InChI

InChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-6-4-5-7-10-8/h4-7H,1-3H3

InChI Key

MKGLHHAHWDNTEJ-UHFFFAOYSA-N

Formula

C9H13NO2Si

SMILES

C[Si](C)(C)OC(=O)c1ccccn1

Molecular Weight¹

195.29

CAS

17881-49-1

Other Names

• Picolinic acid, TMS
• Picolinic acid, tms 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	0.4982		Relay (1.0) Calculated Property
ΔfG°	-80.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-388.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-1.58		Relay (1.0) Calculated Property
logPoct/wat	2.073		Crippen Calculated Property
Pc	2247.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[1288.00; 1288.00]
Inp	1288.00		NIST
Inp	1288.00		NIST
Tboil	505.48	K	Relay (1.0) Calculated Property
Tc	706.86	K	Relay (1.0) Calculated Property
Tfus	263.63	K	Relay (1.0) Calculated Property
Vc	0.590	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Picolinic acid, 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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