Chemical Properties of 2-Pentenedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester (CAS 55590-97-1)

InChI

InChI=1S/C14H30O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h10H,11H2,1-9H3/b12-10-

InChI Key

TZIXNQWQHKLOGH-BENRWUELSA-N

Formula

C14H30O5Si3

SMILES

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

Molecular Weight¹

362.64

CAS

55590-97-1

Other Names

• 2-Ketoglutaric acid, tri-TMS
• 2-Ketoglutaric acid, tris(trimethylsilyl)- deriv.
• Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]-2-pentenedioate
• 2-Ketoglutaric acid, enol, tri-TMS
• 2-Pentenedioic acid, 2-[(trimethylsilyl)oxy]-, 1,5-bis(trimethylsilyl) ester

• 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	0.7321		Relay (1.0) Calculated Property
ΔfG°	-477.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1293.53	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-2.77		Relay (1.0) Calculated Property
logPoct/wat	3.868		Crippen Calculated Property
Pc	759.65	kPa	Relay (1.0-beta) Calculated Property
Inp	[1622.00; 1622.00]
Inp	1622.00		NIST
Inp	1622.00		NIST
Tboil	541.36	K	Relay (1.0) Calculated Property
Tc	705.99	K	Relay (1.0) Calculated Property
Tfus	304.85	K	Relay (1.0) Calculated Property
Vc	1.171	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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