Chemical Properties of Propanedioic acid, [(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester (CAS 38165-93-4)

InChI

InChI=1S/C12H28O5Si3/c1-18(2,3)15-10(11(13)16-19(4,5)6)12(14)17-20(7,8)9/h10H,1-9H3

InChI Key

FVBGDMUSQDIQPK-UHFFFAOYSA-N

Formula

C12H28O5Si3

SMILES

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

Molecular Weight¹

336.60

CAS

38165-93-4

Other Names

• Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]malonate
• Tartronic acid, (tris-TMS)-
• Hydroxymalonic acid, tri-TMS
• Glyceraric (tartronic) acid, TMS
• Hydroxymalonic acid, tris-TMS
• Tartronic acid, 3tms 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	0.6384		Relay (1.0) Calculated Property
ΔfG°	-566.26	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1335.23	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-1.63		Relay (1.0) Calculated Property
logPoct/wat	2.963		Crippen Calculated Property
Pc	932.22	kPa	Relay (1.0-beta) Calculated Property
Inp	[1386.00; 1407.00]
Inp	1386.00		NIST
Inp	1407.00		NIST
Inp	1394.00		NIST
Inp	1386.00		NIST
Inp	1407.00		NIST
Inp	1394.00		NIST
Tboil	504.68	K	Relay (1.0) Calculated Property
Tc	674.37	K	Relay (1.0) Calculated Property
Tfus	301.47	K	Relay (1.0) Calculated Property
Vc	1.086	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, [(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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