Chemical Properties of Propanedioic acid, methyl-, bis(tert-butyldimethylsilyl) ester (CAS 98830-29-6)

InChI

InChI=1S/C16H34O4Si2/c1-12(13(17)19-21(8,9)15(2,3)4)14(18)20-22(10,11)16(5,6)7/h12H,1-11H3

InChI Key

XSEWCMKKCMQVOE-UHFFFAOYSA-N

Formula

C16H34O4Si2

SMILES

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

Molecular Weight¹

346.61

CAS

98830-29-6

Other Names

• Methylmalonic acid, bis-TBDMS
• Methylmalonic acid, diTBDMS
• Methylmalonic acid, bis-TBDMS ester
• Methylmalonic acid, TBDMS
• Methylmalonate, TBDMS
• Methylmalonic acid, DMTBS
• Methylmalonic acid, 2tbdms 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	0.6316		Relay (1.0) Calculated Property
ΔfG°	-418.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1196.45	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	4.719		Crippen Calculated Property
Pc	1513.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[1648.90; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
Inp	1648.90		NIST
Inp	1657.00		NIST
Inp	1656.57		NIST
Inp	1658.00		NIST
Inp	1648.90		NIST
Inp	1660.00		NIST
Inp	1657.00		NIST
Tboil	527.27	K	Relay (1.0) Calculated Property
Tc	747.32	K	Relay (1.0) Calculated Property
Tfus	346.11	K	Relay (1.0) Calculated Property
Vc	1.142	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, methyl-, bis(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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