Chemical Properties of Butanoic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55124-90-8)

InChI

InChI=1S/C11H26O3Si2/c1-11(2,14-16(6,7)8)9-10(12)13-15(3,4)5/h9H2,1-8H3

InChI Key

CEMBCVWMQGTNRL-UHFFFAOYSA-N

Formula

C11H26O3Si2

SMILES

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

Molecular Weight¹

262.49

CAS

55124-90-8

Other Names

• 3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
• «beta»-Hydroxyisovaleric acid, trimethylsilyl ether, trimethylsilyl ester
• 3-Hydroxyisovaleric acid, bis-TMS
• 3-Hydroxyisovaleric acid, di-TMS
• Butanoic acid, 3-methyl, 3-hydroxy, (2TMS)-
• Butanoic acid, 3-methyl, 3-hydroxy, TMS
• 3-Hydroxyisovaleric acid, 2tms 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	0.5435		Relay (... Calculated Property
ΔfG°	-339.61	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-942.68	kJ/mol	Relay (... Calculated Property
ΔvapH°	56.82	kJ/mol	Relay (... Calculated Property
IE	9.77	eV	Relay (... Calculated Property
log10WS	-1.32		Relay (... Calculated Property
logPoct/wat	3.385		Crippen Calculated Property
Pc	1307.38	kPa	Relay (... Calculated Property ⚠️
Inp	[1203.90; 1217.00]
Inp	1210.00		NIST
Inp	1214.00		NIST
Inp	1212.00		NIST
Inp	1217.00		NIST
Inp	1216.00		NIST
Inp	1216.00		NIST
Inp	1214.00		NIST
Inp	Outlier 1203.90		NIST
Inp	1216.00		NIST
Inp	1214.00		NIST
Inp	1216.00		NIST
Inp	Outlier 1203.90		NIST
Tboil	468.06	K	Relay (... Calculated Property
Tc	641.27	K	Relay (... Calculated Property
Tfus	245.98	K	Relay (... Calculated Property
Vc	0.900	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.