Chemical Properties of Glycine, N-[«alpha»-[(tert-butyldimethylsilyl)oxy]benzylidene]-, tert-butyldimethylsilyl ester

InChI

InChI=1S/C21H37NO3Si2/c1-20(2,3)26(7,8)24-18(23)16-22-19(17-14-12-11-13-15-17)25-27(9,10)21(4,5)6/h11-15H,16H2,1-10H3

InChI Key

GDYLFEMWVPQLJN-UHFFFAOYSA-N

Formula

C21H37NO3Si2

SMILES

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

Molecular Weight¹

407.69

Other Names

• Hippuric acid, TBDMS

• 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	0.7747		Relay (1.0) Calculated Property
ΔfG°	-39.01	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-781.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	6.003		Crippen Calculated Property
Pc	1253.96	kPa	Relay (1.0-beta) Calculated Property
Inp	[2094.00; 2104.00]
Inp	2104.00		NIST
Inp	2094.00		NIST
Inp	2094.00		NIST
Tboil	614.57	K	Relay (1.0) Calculated Property
Tc	860.62	K	Relay (1.0) Calculated Property
Tfus	346.93	K	Relay (1.0) Calculated Property
Vc	1.297	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-[«alpha»-[(tert-butyldimethylsilyl)oxy]benzylidene]-, 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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