Chemical Properties of 3-Aminobutanoic acid, N-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 959109-26-3)

InChI

InChI=1S/C16H37NO2Si2/c1-13(17-20(8,9)15(2,3)4)12-14(18)19-21(10,11)16(5,6)7/h13,17H,12H2,1-11H3

InChI Key

ZQDPBXJYXLAVEC-UHFFFAOYSA-N

Formula

C16H37NO2Si2

SMILES

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

Molecular Weight¹

331.64

CAS

959109-26-3

Other Names

• Butanoic acid, 3-[(tert-butyldimethylsilyl)amino]-, tert-butyldimethylsilyl ester, (±)-
• Butanoic acid, 3-amino, O,N-bis-DMTBS

• 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	0.6176		Relay (1.0) Calculated Property
ΔfG°	-107.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-827.03	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.04	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	4.908		Crippen Calculated Property
Pc	1498.41	kPa	Relay (1.0-beta) Calculated Property
Inp	[1647.00; 1647.00]
Inp	1647.00		NIST
Inp	1647.00		NIST
Tboil	517.70	K	Relay (1.0) Calculated Property
Tc	753.76	K	Relay (1.0) Calculated Property
Tfus	335.42	K	Relay (1.0) Calculated Property
Vc	1.127	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Aminobutanoic acid, 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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