Chemical Properties of 2,3-Pyridinedicarboxylic acid, bis(tert-butyldimethylsilyl) ester

InChI

InChI=1S/C19H33NO4Si2/c1-18(2,3)25(7,8)23-16(21)14-12-11-13-20-15(14)17(22)24-26(9,10)19(4,5)6/h11-13H,1-10H3

InChI Key

KTQVSKNMDFNPJG-UHFFFAOYSA-N

Formula

C19H33NO4Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1cccnc1C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

395.64

Other Names

• Pyridine-2,3-dicarboxylic acid, TBDMS
• Quinolinic acid, 2tbdms 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	0.7916		Relay (1.0) Calculated Property
ΔfG°	-219.30	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-968.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	5.406		Crippen Calculated Property
Pc	1339.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[2156.00; 2166.00]
Inp	2156.00		NIST
Inp	2166.00		NIST
Inp	2156.00		NIST
Inp	2166.00		NIST
Tboil	601.08	K	Relay (1.0) Calculated Property
Tc	867.06	K	Relay (1.0) Calculated Property
Tfus	368.28	K	Relay (1.0) Calculated Property
Vc	1.242	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Pyridinedicarboxylic acid, bis(tert-butyldimethylsilyl) 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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