Chemical Properties of Glycine, N-benzoyl-, tert-butyldimethylsilyl ester (CAS 105041-03-0)

InChI

InChI=1S/C15H23NO3Si/c1-15(2,3)20(4,5)19-13(17)11-16-14(18)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,16,18)

InChI Key

AUAFREORTBXLPU-UHFFFAOYSA-N

Formula

C15H23NO3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)c1ccccc1

Molecular Weight¹

293.43

CAS

105041-03-0

Other Names

• Hippuric acid, tert-butyldimethylsilyl ester
• tert-Butyl(dimethyl)silyl N-benzoylglycinate
• Hippuric acid, DMTBS
• Hippuric acid, tbdms 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	0.6722		Relay (1.0) Calculated Property
ΔfG°	-115.30	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-641.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-3.41		Relay (1.0) Calculated Property
logPoct/wat	2.965		Crippen Calculated Property
Pc	1790.97	kPa	Relay (1.0-beta) Calculated Property
Inp	[2095.00; 2113.60]
Inp	2113.60		NIST
Inp	2095.00		NIST
Inp	2113.60		NIST
Tboil	593.41	K	Relay (1.0) Calculated Property
Tc	840.29	K	Relay (1.0) Calculated Property
Tfus	398.29	K	Relay (1.0) Calculated Property
Vc	0.859	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-benzoyl-, 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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