Chemical Properties of O,O,O'-Tris-trimethylsilylmalonate (CAS 40333-06-0)

InChI

InChI=1S/C12H28O4Si3/c1-17(2,3)14-11(13)10-12(15-18(4,5)6)16-19(7,8)9/h10H,1-9H3

InChI Key

WGSJCFWDDBQNBV-UHFFFAOYSA-N

Formula

C12H28O4Si3

SMILES

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

Molecular Weight¹

320.60

CAS

40333-06-0

Other Names

• Malonic acid, tris-TMS

• 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	0.6422		Relay (1.0) Calculated Property
ΔfG°	-392.37	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1161.94	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
Pc	947.08	kPa	Relay (1.0-beta) Calculated Property
Inp	[1425.00; 1425.00]
Inp	1425.00		NIST
Inp	1425.00		NIST
Tboil	506.52	K	Relay (1.0) Calculated Property
Tc	673.13	K	Relay (1.0) Calculated Property
Tfus	279.34	K	Relay (1.0) Calculated Property
Vc	1.071	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to O,O,O'-Tris-trimethylsilylmalonate.

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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