Chemical Properties of Pentanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-4-methyl-, tert-butyldimethylsilyl ester (CAS 89682-23-5)

InChI

InChI=1S/C18H40O3Si2/c1-14(2)13-15(20-22(9,10)17(3,4)5)16(19)21-23(11,12)18(6,7)8/h14-15H,13H2,1-12H3

InChI Key

MUXPVGBUUPXKBR-UHFFFAOYSA-N

Formula

C18H40O3Si2

SMILES

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

Molecular Weight¹

360.68

CAS

89682-23-5

Other Names

• 2-Hydroxyisocaproic acid, diTBDMS
• 2-Hydroxyisocaproic acid, bis-TBDMS
• 2-Hydroxyisocaproic acid, TBDMS
• 2-Hydroxyisocaproic acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl ester
• 2-Hydroxyisocaproic acid, DMTBS
• 2-Hydroxyisocaproic acid, (s)-, 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	0.6503		Relay (... Calculated Property
ΔfG°	-268.50	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1028.00	kJ/mol	Relay (... Calculated Property
ΔvapH°	67.34	kJ/mol	Relay (... Calculated Property
IE	9.00	eV	Relay (... Calculated Property
log10WS	-3.62		Relay (... Calculated Property
logPoct/wat	5.971		Crippen Calculated Property
Pc	1267.40	kPa	Relay (... Calculated Property ⚠️
Inp	[1643.00; 1654.00]
Inp	1654.00		NIST
Inp	1643.00		NIST
Inp	1652.00		NIST
Inp	1653.00		NIST
Inp	1652.00		NIST
Tboil	536.64	K	Relay (... Calculated Property
Tc	748.80	K	Relay (... Calculated Property
Tfus	305.54	K	Relay (... Calculated Property
Vc	1.236	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-4-methyl-, 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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