Chemical Properties of 3-Pyridinimidic acid, trimethylsilyl ester

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

Other Names

• Nicotinic acid-TMS
• Nicotinic acid, trimethylsilyl ester
• Trimethylsilyl nicotinate
• Niacin, tms derivative

• 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.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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
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
Tfus	294.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 3-Pyridinimidic 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.