Chemical Properties of 2-Pentenoic acid, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55320-09-7)

InChI

InChI=1S/C12H26O3Si2/c1-9-10(2)11(14-16(3,4)5)12(13)15-17(6,7)8/h9H2,1-8H3/b11-10-

InChI Key

RHJGXCQRZWTGMA-KHPPLWFESA-N

Formula

C12H26O3Si2

SMILES

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

Molecular Weight¹

274.50

CAS

55320-09-7

Other Names

• 2-Keto-3-methylvaleric acid, enol, di-TMS
• 2-Keto-3-methylvaleric acid, enol, (2TMS)
• 2-Keto-3-methylvaleric acid, enol, 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	0.5935		Relay (1.0) Calculated Property
ΔfG°	-283.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-846.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	3.900		Crippen Calculated Property
Pc	1199.34	kPa	Relay (1.0-beta) Calculated Property
Inp	[1314.00; 1327.00]
Inp	1325.00		NIST
Inp	1318.00		NIST
Inp	1327.00		NIST
Inp	1314.00		NIST
Inp	1314.00		NIST
Tboil	501.92	K	Relay (1.0) Calculated Property
Tc	664.95	K	Relay (1.0) Calculated Property
Tfus	273.77	K	Relay (1.0) Calculated Property
Vc	0.929	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentenoic acid, 3-methyl-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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