Chemical Properties of Butanedioic acid, [(trimethylsilyl)oxy]-, dimethyl ester (CAS 55590-73-3)

InChI

InChI=1S/C9H18O5Si/c1-12-8(10)6-7(9(11)13-2)14-15(3,4)5/h7H,6H2,1-5H3

InChI Key

MMWDFJMVASCTJS-UHFFFAOYSA-N

Formula

C9H18O5Si

SMILES

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

Molecular Weight¹

234.32

CAS

55590-73-3

Other Names

• DL-Malic acid, O-trimethylsilyl-, dimethyl ester
• Dimethyl malate, tms derivative

• 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	0.5616		Relay (1.0) Calculated Property
ΔfG°	-543.85	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1082.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
log10WS	-0.25		Relay (1.0) Calculated Property
logPoct/wat	0.943		Crippen Calculated Property
Pc	1666.49	kPa	Relay (1.0-beta) Calculated Property
Inp	[1248.10; 1248.10]
Inp	1248.10		NIST
Inp	1248.10		NIST
Tboil	474.97	K	Relay (1.0) Calculated Property
Tc	643.33	K	Relay (1.0) Calculated Property
Tfus	277.21	K	Relay (1.0) Calculated Property
Vc	0.684	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, [(trimethylsilyl)oxy]-, dimethyl 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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