Chemical Properties of 2-Ketoisocaproic acid, trimethylsilyl ester (CAS 74367-71-8)

InChI

InChI=1S/C9H18O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7H,6H2,1-5H3

InChI Key

MCPFMKJHOFUFFW-UHFFFAOYSA-N

Formula

C9H18O3Si

SMILES

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

Molecular Weight¹

202.32

CAS

74367-71-8

Other Names

• 4-Methyl-2-oxovaleric acid, trimethylsilyl ester
• 2-Ketoisocaproic acid, TMS ester
• 2-Ketoisocaproic acid, TMS # 1
• 2-Ketoisocaproic acid, tms derivative

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-759.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	58.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
logPoct/wat	1.980		Crippen Calculated Property
Inp	[1115.20; 1129.00]
Inp	1115.20		NIST
Inp	1129.00		NIST
Inp	1129.00		NIST
Inp	1115.20		NIST
Tboil	453.61	K	Relay (1.0) Calculated Property
Tfus	240.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 2-Ketoisocaproic acid, 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.
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