Chemical Properties of Quinolinic acid, bis(trimethylsilyl) ester

InChI

InChI=1S/C13H21NO4Si2/c1-19(2,3)17-12(15)10-8-7-9-14-11(10)13(16)18-20(4,5)6/h7-9H,1-6H3

InChI Key

FUIIPFHUXKUVDX-UHFFFAOYSA-N

Formula

C13H21NO4Si2

SMILES

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

Molecular Weight¹

311.48

Other Names

• Quinolinic acid, bis-TMS
• Quinolinic acid, TMS
• Quinolinic 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	0.7192		Relay (1.0) Calculated Property
ΔfG°	-293.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-868.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	3.065		Crippen Calculated Property
Pc	1239.54	kPa	Relay (1.0-beta) Calculated Property
Inp	[1708.00; 1745.00]
Inp	1745.00		NIST
Inp	1708.00		NIST
Inp	1745.00		NIST
Tboil	569.18	K	Relay (1.0) Calculated Property
Tc	784.08	K	Relay (1.0) Calculated Property
Tfus	310.70	K	Relay (1.0) Calculated Property
Vc	0.952	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Quinolinic acid, bis(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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