Chemical Properties of Pentanoic acid, 4-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 54890-08-3)

InChI

InChI=1S/C12H28O3Si2/c1-10(2)9-11(14-16(3,4)5)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3

InChI Key

BTVVIFVNNGJOJY-UHFFFAOYSA-N

Formula

C12H28O3Si2

SMILES

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

Molecular Weight¹

276.52

CAS

54890-08-3

Other Names

• 2-Hydroxyisocaproic acid, di-TMS
• 2-Hydroxyisocaproic acid, bis-TMS
• Pentanoic acid, 2-hydroxy-4-methyl, (2TMS)-
• 2-Hydroxyisocaproic acid, TMS
• Pentanoic acid, 2-hydroxy-4-methyl, TMS
• 2-Hydroxyisocaproic 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	0.5703		Relay (1.0) Calculated Property
ΔfG°	-341.84	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-939.19	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	60.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-1.98		Relay (1.0) Calculated Property
logPoct/wat	3.631		Crippen Calculated Property
Pc	1152.84	kPa	Relay (1.0-beta) Calculated Property
Inp	[1226.90; 1252.00]
Inp	1242.00		NIST
Inp	1250.00		NIST
Inp	1252.00		NIST
Inp	1241.00		NIST
Inp	1241.00		NIST
Inp	Outlier 1226.90		NIST
Inp	1238.00		NIST
Inp	1241.00		NIST
Inp	1252.00		NIST
Inp	1248.00		NIST
Inp	1242.00		NIST
Tboil	479.86	K	Relay (1.0) Calculated Property
Tc	642.42	K	Relay (1.0) Calculated Property
Tfus	249.13	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 4-methyl-2-[(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.