Chemical Properties of Pentanedioic acid, 3-[(tert-butyldimethylsilyl)oxy]-3-methyl-, bis(tert-butyldimethylsilyl) ester

InChI

InChI=1S/C24H52O5Si3/c1-21(2,3)30(11,12)27-19(25)17-24(10,29-32(15,16)23(7,8)9)18-20(26)28-31(13,14)22(4,5)6/h17-18H2,1-16H3

InChI Key

JINZCJWKPQVMQZ-UHFFFAOYSA-N

Formula

C24H52O5Si3

SMILES

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

Molecular Weight¹

504.92

Other Names

• 3-Hydroxy-3-methylglutaric acid, triTBDMS
• 3-Hydroxy-3-methylglutarate, TBDMS
• 3-Hydroxy-3-methylglutaric acid, TBDMS
• Meglutol, 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	0.8502		Relay (1.0) Calculated Property
ΔfG°	-423.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1568.47	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	7.644		Crippen Calculated Property
Pc	936.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[2252.00; 2252.00]
Inp	2252.00		NIST
Inp	2252.00		NIST
Tboil	586.78	K	Relay (1.0) Calculated Property
Tc	825.17	K	Relay (1.0) Calculated Property
Tfus	336.18	K	Relay (1.0) Calculated Property
Vc	1.718	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, 3-[(tert-butyldimethylsilyl)oxy]-3-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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