Chemical Properties of Glycine, N-(trimethylsilyl)-N-[2-[(trimethylsilyl)oxy]benzoyl]-, trimethylsilyl ester (CAS 55517-53-8)

InChI

InChI=1S/C18H33NO4Si3/c1-24(2,3)19(14-17(20)23-26(7,8)9)18(21)15-12-10-11-13-16(15)22-25(4,5)6/h10-13H,14H2,1-9H3

InChI Key

SJLWAPOSGSUWJU-UHFFFAOYSA-N

Formula

C18H33NO4Si3

SMILES

C[Si](C)(C)OC(=O)CN(C(=O)c1ccccc1O[Si](C)(C)C)[Si](C)(C)C

Molecular Weight¹

411.72

CAS

55517-53-8

Other Names

• 2-Hydroxyhippuric acid, N,O,O-tris(trimethylsilyl) deriv.
• 2-Hydroxyhippuric acid, tris-TMS
• 2-Hydroxyhippuric 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	0.7862		Relay (1.0) Calculated Property
ΔfG°	-194.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-989.01	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	4.556		Crippen Calculated Property
Pc	516.40	kPa	Relay (1.0-beta) Calculated Property
Inp	[1954.00; 1954.00]
Inp	1954.00		NIST
Inp	1954.00		NIST
Inp	1954.00		NIST
Inp	1954.00		NIST
Tboil	612.03	K	Relay (1.0) Calculated Property
Tc	828.88	K	Relay (1.0) Calculated Property
Tfus	339.18	K	Relay (1.0) Calculated Property
Vc	1.293	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-(trimethylsilyl)-N-[2-[(trimethylsilyl)oxy]benzoyl]-, 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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