Chemical Properties of Mono-ethylmalonate, tert-butyldimethylsilyl ester

InChI

InChI=1S/C11H22O4Si/c1-7-14-9(12)8-10(13)15-16(5,6)11(2,3)4/h7-8H2,1-6H3

InChI Key

AFEMUXVHVAWNOP-UHFFFAOYSA-N

Formula

C11H22O4Si

SMILES

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

Molecular Weight¹

246.38

Other Names

• Ethylmalonate, TBDMS
• Mono-ethyl malonate, tbdms 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	0.5787		Relay (1.0) Calculated Property
ΔfG°	-453.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1008.02	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-2.06		Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
Pc	1871.62	kPa	Relay (1.0-beta) Calculated Property
Inp	[1359.10; 1359.10]
Inp	1359.10		NIST
Inp	1359.10		NIST
Tboil	504.19	K	Relay (1.0) Calculated Property
Tc	694.63	K	Relay (1.0) Calculated Property
Tfus	268.61	K	Relay (1.0) Calculated Property
Vc	0.749	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Mono-ethylmalonate, tert-butyldimethylsilyl 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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