Chemical Properties of «beta»-Alanine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester (CAS 55255-77-1)

InChI

InChI=1S/C12H31NO2Si3/c1-16(2,3)13(17(4,5)6)11-10-12(14)15-18(7,8)9/h10-11H2,1-9H3

InChI Key

MKLCEJSOJVLNMP-UHFFFAOYSA-N

Formula

C12H31NO2Si3

SMILES

C[Si](C)(C)OC(=O)CCN([Si](C)(C)C)[Si](C)(C)C

Molecular Weight¹

305.64

CAS

55255-77-1

Other Names

• «beta»-Ala, O,N,N-tris-TMS
• B-Ala, O,N,N-tris-TMS
• «BETA»-alanine, 3tms 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	0.5560		Relay (1.0) Calculated Property
ΔfG°	-101.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-803.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	58.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	3.726		Crippen Calculated Property
Pc	1018.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[1423.00; 1439.00]
Inp	1427.00		NIST
Inp	1434.00		NIST
Inp	1423.00		NIST
Inp	1439.00		NIST
Inp	1427.00		NIST
Tboil	502.26	K	Relay (1.0) Calculated Property
Tc	680.66	K	Relay (1.0) Calculated Property
Tfus	261.66	K	Relay (1.0) Calculated Property
Vc	1.038	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N,N-bis(trimethylsilyl)-, trimethylsilyl 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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