Chemical Properties of tert-Butyldimethylsilyl N-(4-aminobenzoyl)glycinate

InChI

InChI=1S/C15H24N2O3Si/c1-15(2,3)21(4,5)20-13(18)10-17-14(19)11-6-8-12(16)9-7-11/h6-9H,10,16H2,1-5H3,(H,17,19)

InChI Key

SADNVUGOUAJKDM-UHFFFAOYSA-N

Formula

C15H24N2O3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)c1ccc(N)cc1

Molecular Weight¹

308.45

Other Names

• 2.4-Aminohippuric acid, tert-butyldimethylsilyl ester
• Hippuric acid, p-amino-, tert-butyldimethylsilyl ester
• para-Aminohippuric acid, tert-butyldimethylsilyl ester
• tert-Butyldimethylsilyl 2-[(4-aminobenzoyl)amino]acetate

• 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	0.7860		Relay (1.0) Calculated Property
ΔfG°	-77.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-647.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	93.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	2.547		Crippen Calculated Property
Pc	1667.35	kPa	Relay (1.0-beta) Calculated Property
Inp	[2646.00; 2646.00]
Inp	2646.00		NIST
Inp	2646.00		NIST
Tboil	634.80	K	Relay (1.0) Calculated Property
Tc	884.29	K	Relay (1.0) Calculated Property
Tfus	413.78	K	Relay (1.0) Calculated Property
Vc	0.882	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to tert-Butyldimethylsilyl N-(4-aminobenzoyl)glycinate.

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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