Chemical Properties of 2-Methylacetoacetic acid, mono-TMS

InChI

InChI=1S/C8H16O3Si/c1-6(7(2)9)8(10)11-12(3,4)5/h6H,1-5H3

InChI Key

HDYNRULYUKFBAI-UHFFFAOYSA-N

Formula

C8H16O3Si

SMILES

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

Molecular Weight¹

188.30

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-782.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	54.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
logPoct/wat	1.590		Crippen Calculated Property
Inp	[1087.00; 1087.00]
Inp	1087.00		NIST
Inp	1087.00		NIST
Tboil	461.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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-Methylacetoacetic acid, mono-TMS.

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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