Chemical Properties of L-Histidine, N,1-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 107716-00-7)

InChI

InChI=1S/C24H51N3O2Si3/c1-22(2,3)30(10,11)26-20(21(28)29-32(14,15)24(7,8)9)16-19-17-27(18-25-19)31(12,13)23(4,5)6/h17-18,20,26H,16H2,1-15H3/t20-/m1/s1

InChI Key

GDEAMTKPUQQSOK-HXUWFJFHSA-N

Formula

C24H51N3O2Si3

SMILES

CC(C)(C)[Si](C)(C)NC(Cc1cn([Si](C)(C)C(C)(C)C)cn1)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

497.94

CAS

107716-00-7

Other Names

• N1,N2,O-Tris(dimethyl-t-butylsilyl)-l-histidine
• Histidine triTBDMS

• 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	0.8100		Relay (1.0) Calculated Property
ΔfG°	161.13	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-816.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.66	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	6.791		Crippen Calculated Property
Pc	896.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[2573.00; 2595.00]
Inp	2595.00		NIST
Inp	2573.00		NIST
Inp	2573.00		NIST
Tboil	616.18	K	Relay (1.0) Calculated Property
Tc	919.58	K	Relay (1.0) Calculated Property
Tfus	390.20	K	Relay (1.0) Calculated Property
Vc	1.664	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Histidine, N,1-bis(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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