Chemical Properties of L-Threonine, N,O-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 107715-94-6)

InChI

InChI=1S/C22H51NO3Si3/c1-17(25-28(13,14)21(5,6)7)18(23-27(11,12)20(2,3)4)19(24)26-29(15,16)22(8,9)10/h17-18,23H,1-16H3/t17-,18+/m0/s1

InChI Key

DUARMRXEYAQNOD-ZWKOTPCHSA-N

Formula

C22H51NO3Si3

SMILES

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

Molecular Weight¹

461.90

CAS

107715-94-6

Other Names

• Thr, N,O,O-tris-TBDMS
• Threonine tri-TBDMS
• Thr, (3TBDMS)-
• Thr, TBDMS
• allo-Thr, TBDMS
• L-threonine, 3tbdms 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	0.7120		Relay (... Calculated Property
ΔfG°	-144.60	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1132.85	kJ/mol	Relay (... Calculated Property
ΔvapH°	76.11	kJ/mol	Relay (... Calculated Property
IE	7.92	eV	Relay (... Calculated Property
log10WS	-4.09		Relay (... Calculated Property
logPoct/wat	6.909		Crippen Calculated Property
Pc	1061.99	kPa	Relay (... Calculated Property ⚠️
Inp	[2029.00; 2041.00]
Inp	2029.00		NIST
Inp	2041.00		NIST
Inp	2029.00		NIST
Tboil	559.34	K	Relay (... Calculated Property
Tc	809.93	K	Relay (... Calculated Property
Tfus	335.95	K	Relay (... Calculated Property
Vc	1.584	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to L-Threonine, N,O-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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