Chemical Properties of L-Phenylalanine, N-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 107715-95-7)

InChI

InChI=1S/C21H39NO2Si2/c1-20(2,3)25(7,8)22-18(16-17-14-12-11-13-15-17)19(23)24-26(9,10)21(4,5)6/h11-15,18,22H,16H2,1-10H3/t18-/m1/s1

InChI Key

CCHAQKAMPRPVGP-GOSISDBHSA-N

Formula

C21H39NO2Si2

SMILES

CC(C)(C)[Si](C)(C)NC(Cc1ccccc1)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

393.71

CAS

107715-95-7

Other Names

• N,O-Bis(dimethyl-t-butylsilyl)-l-phenylalanine
• tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]amino)-3-phenylpropanoate, (L)-
• Phenylalanine, diTBDMS
• Phenylalanine, N,O-bis-TBDMS
• Phe, N,O-bis-TBDMS
• Phe, TBDMS
• Phenylalanine, TBDMS
• L-phenylalanine, 2tbdms 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	0.6674		Relay (1.0) Calculated Property
ΔfG°	41.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-656.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.47	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	5.741		Crippen Calculated Property
Pc	1238.51	kPa	Relay (1.0-beta) Calculated Property
Inp	[2091.20; 2098.00]
Inp	2098.00		NIST
Inp	2098.00		NIST
Inp	2091.20		NIST
Inp	2094.00		NIST
Inp	2094.00		NIST
Inp	2091.20		NIST
Inp	2098.00		NIST
Tboil	594.26	K	Relay (1.0) Calculated Property
Tc	855.01	K	Relay (1.0) Calculated Property
Tfus	347.85	K	Relay (1.0) Calculated Property
Vc	1.276	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Phenylalanine, N-(tert-butyldimethylsilyl)-, 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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