Chemical Properties of Pentanedioic acid, 3-oxo-, tris(trimethylsilyl) ester (CAS 72361-20-7)

InChI

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

InChI Key

JJMFGWNTLJOELF-BENRWUELSA-N

Formula

C14H30O5Si3

SMILES

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

Molecular Weight¹

362.64

CAS

72361-20-7

Other Names

• 3-Ketoglutaric acid, TMS # 3

• 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	0.7185		Relay (1.0) Calculated Property
ΔfG°	-501.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1334.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-2.69		Relay (1.0) Calculated Property
logPoct/wat	3.868		Crippen Calculated Property
Pc	818.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[1619.00; 1631.00]
Inp	1619.00		NIST
Inp	1631.00		NIST
Inp	1619.00		NIST
Tboil	540.18	K	Relay (1.0) Calculated Property
Tc	712.93	K	Relay (1.0) Calculated Property
Tfus	290.37	K	Relay (1.0) Calculated Property
Vc	1.169	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, 3-oxo-, tris(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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