Chemical Properties of L-Valine, N-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 107715-89-9)

InChI

InChI=1S/C17H39NO2Si2/c1-13(2)14(18-21(9,10)16(3,4)5)15(19)20-22(11,12)17(6,7)8/h13-14,18H,1-12H3

InChI Key

KPMGOLUDVQVDCW-UHFFFAOYSA-N

Formula

C17H39NO2Si2

SMILES

CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

345.67

CAS

107715-89-9

Other Names

• N,O-Bis(dimethyl-t-butylsilyl)-l-valine
• tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]amino)-3-methylbutanoate, (L)-
• Valine diTBDMS
• Valine, bis-TBDMS
• Val, bis-TBDMS
• Val, TBDMS
• Valine, TBDMS
• L-valine, 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	0.6104		Relay (1.0) Calculated Property
ΔfG°	-94.94	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-827.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.95	kJ/mol	Relay (1.0) Calculated Property
IE	7.73	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	5.154		Crippen Calculated Property
Pc	1398.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[1642.30; 1684.00]
Inp	1659.00		NIST
Inp	1659.00		NIST
Inp	1642.30		NIST
Inp	1684.00		NIST
Tboil	515.67	K	Relay (1.0) Calculated Property
Tc	758.26	K	Relay (1.0) Calculated Property
Tfus	345.03	K	Relay (1.0) Calculated Property
Vc	1.172	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, 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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