Chemical Properties of Butanedioic acid, 2-[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester (CAS 99461-86-6)

InChI

InChI=1S/C22H48O5Si3/c1-20(2,3)28(10,11)25-17(19(24)27-30(14,15)22(7,8)9)16-18(23)26-29(12,13)21(4,5)6/h17H,16H2,1-15H3

InChI Key

LGKDLSNIOMYKSN-UHFFFAOYSA-N

Formula

C22H48O5Si3

SMILES

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

Molecular Weight¹

476.87

CAS

99461-86-6

Other Names

• DL-Malic acid, O-tert-butyldimethylsilyl-, bis(tert-butyldimethylsilyl) ester
• Malic acid, tris-TBDMS
• Malic acid, TBDMS
• Malic acid, DMTBS
• Malic acid, 3tbdms 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	0.7915		Relay (... Calculated Property
ΔfG°	-437.47	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1506.87	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.25	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-4.07		Relay (... Calculated Property
logPoct/wat	6.864		Crippen Calculated Property
Pc	1042.26	kPa	Relay (... Calculated Property ⚠️
Inp	[2094.50; 2172.00]
Inp	2094.50		NIST
Inp	2115.00		NIST
Inp	2172.00		NIST
Inp	2151.00		NIST
Inp	2115.00		NIST
Tboil	565.72	K	Relay (... Calculated Property
Tc	809.78	K	Relay (... Calculated Property
Tfus	347.83	K	Relay (... Calculated Property
Vc	1.601	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, 2-[(tert-butyldimethylsilyl)oxy]-, 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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