Chemical Properties of Butanoic acid, 2,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55191-52-1)

InChI

InChI=1S/C13H32O4Si3/c1-18(2,3)15-11-10-12(16-19(4,5)6)13(14)17-20(7,8)9/h12H,10-11H2,1-9H3

InChI Key

LVLAUUNRZLEVPB-UHFFFAOYSA-N

Formula

C13H32O4Si3

SMILES

C[Si](C)(C)OCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

336.65

CAS

55191-52-1

Other Names

• 3-Deoxytetronic acid, tris-TMS
• 3-Deoxytetronic acid, tri-TMS

• 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	0.6446		Relay (1.0) Calculated Property
ΔfG°	-421.56	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1173.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-1.47		Relay (1.0) Calculated Property
logPoct/wat	3.826		Crippen Calculated Property
Pc	869.93	kPa	Relay (1.0-beta) Calculated Property
Inp	[1426.00; 1432.00]
Inp	1431.00		NIST
Inp	1432.00		NIST
Inp	1428.00		NIST
Inp	1426.00		NIST
Inp	1432.00		NIST
Inp	1431.00		NIST
Tboil	512.44	K	Relay (1.0) Calculated Property
Tc	674.82	K	Relay (1.0) Calculated Property
Tfus	274.56	K	Relay (1.0) Calculated Property
Vc	1.136	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2,4-bis[(trimethylsilyl)oxy]-, 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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