Chemical Properties of 3-Pyridinecarboxylic acid, trimethylsilyl ester (CAS 25436-37-7)

InChI

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

InChI Key

PYFBRRMHOWLGJH-UHFFFAOYSA-N

Formula

C9H13NO2Si

SMILES

C[Si](C)(C)OC(=O)c1cccnc1

Molecular Weight¹

195.29

CAS

25436-37-7

Other Names

• Nicotinic acid-TMS
• Nicotinic acid, trimethylsilyl ester
• Trimethylsilyl nicotinate
• Niacin, 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	0.5019		Relay (1.0) Calculated Property
ΔfG°	-86.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-387.38	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-1.45		Relay (1.0) Calculated Property
logPoct/wat	2.073		Crippen Calculated Property
Pc	2249.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[1257.00; 1304.00]
Inp	1296.90		NIST
Inp	1274.00		NIST
Inp	1299.40		NIST
Inp	1298.00		NIST
Inp	Outlier 1257.00		NIST
Inp	1304.00		NIST
Inp	1299.40		NIST
Inp	1296.90		NIST
Tboil	510.42	K	Relay (1.0) Calculated Property
Tc	718.65	K	Relay (1.0) Calculated Property
Tfus	294.00	K	Relay (1.0) Calculated Property
Vc	0.587	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Pyridinecarboxylic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.