Chemical Properties of Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-3-methyl-, tert-butyldimethylsilyl ester (CAS 180784-67-2)

InChI

InChI=1S/C17H38O3Si2/c1-13(2)14(19-21(9,10)16(3,4)5)15(18)20-22(11,12)17(6,7)8/h13-14H,1-12H3

InChI Key

NUIUNGHKCAVDFV-UHFFFAOYSA-N

Formula

C17H38O3Si2

SMILES

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

Molecular Weight¹

346.65

CAS

180784-67-2

Other Names

• 2-Hydroxyisovalerate, bis-TBDMS
• 2-Hydroxyisovaleric acid, diTBDMS
• 2-Hydroxyisovaleric acid, TBDMS ether, TBDMS ester
• Butanoic acid, 2-hydroxy-3-methyl, bis-TBDMS
• 2-Hydroxyisovaleric acid, TBDMS
• Butanoic acid, 2-hydroxy-3-methyl, TBDMS
• 2-Hydroxyisovaleric acid, DMTBS
• 2-Hydroxyisovalerate, TBDMS
• 2-Hydroxy-3-methylbutyric 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	0.6177		Relay (1.0) Calculated Property
ΔfG°	-275.66	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-998.20	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	5.581		Crippen Calculated Property
Pc	1399.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[1604.00; 1608.00]
Inp	1608.00		NIST
Inp	1608.00		NIST
Inp	1604.00		NIST
Inp	1605.00		NIST
Inp	1608.00		NIST
Inp	1604.00		NIST
Tboil	519.07	K	Relay (1.0) Calculated Property
Tc	742.36	K	Relay (1.0) Calculated Property
Tfus	332.07	K	Relay (1.0) Calculated Property
Vc	1.181	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-3-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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