Chemical Properties of 2-Quinolinecarboxylic acid, 4,8-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55319-89-6)

InChI

InChI=1S/C19H31NO4Si3/c1-25(2,3)22-16-12-10-11-14-17(23-26(4,5)6)13-15(20-18(14)16)19(21)24-27(7,8)9/h10-13H,1-9H3

InChI Key

YLJWZSLESGYQOM-UHFFFAOYSA-N

Formula

C19H31NO4Si3

SMILES

C[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C)c2cccc(O[Si](C)(C)C)c2n1

Molecular Weight¹

421.71

CAS

55319-89-6

Other Names

• Xanthurenic acid, O,O-bis(trimethylsilyl)-, trimethylsilyl ester
• Xanthurenic acid, tris-TMS
• Xanthurenic acid, TMS
• Xanthurenic acid, 3tms 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	0.8533		Relay (1.0) Calculated Property
ΔfG°	-208.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-943.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	5.654		Crippen Calculated Property
Pc	473.29	kPa	Relay (1.0-beta) Calculated Property
Inp	[2254.70; 2265.00]
Inp	2265.00		NIST
Inp	2254.70		NIST
Tboil	646.29	K	Relay (1.0) Calculated Property
Tc	896.53	K	Relay (1.0) Calculated Property
Tfus	364.35	K	Relay (1.0) Calculated Property
Vc	1.324	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Quinolinecarboxylic acid, 4,8-bis[(trimethylsilyl)oxy]-, 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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