Chemical Properties of 2-Butenoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55590-70-0)

InChI

InChI=1S/C10H22O3Si2/c1-8-9(12-14(2,3)4)10(11)13-15(5,6)7/h8H,1-7H3/b9-8-

InChI Key

ANZIASHOQWFLTL-HJWRWDBZSA-N

Formula

C10H22O3Si2

SMILES

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

Molecular Weight¹

246.45

CAS

55590-70-0

Other Names

• Trimethylsilyl 2-[(trimethylsilyl)oxy]-2-butenoate
• 2-Ketobutyric acid, enol, di-TMS
• 2-Ketobutyric acid, enol, bis-TMS
• 2-Ketobutyric acid, enol, di-TMS, #1
• 2-Ketobutyric acid, enol, di-TMS, #2
• 2-Ketobutyric acid, 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	0.5514		Relay (1.0) Calculated Property
ΔfG°	-293.07	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-813.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	59.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-2.16		Relay (1.0) Calculated Property
logPoct/wat	3.120		Crippen Calculated Property
Pc	1368.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[1176.00; 1195.00]
Inp	1186.00		NIST
Inp	1195.00		NIST
Inp	1176.00		NIST
Inp	1186.00		NIST
Tboil	488.05	K	Relay (1.0) Calculated Property
Tc	642.99	K	Relay (1.0) Calculated Property
Tfus	274.65	K	Relay (1.0) Calculated Property
Vc	0.814	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, 2-[(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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