Chemical Properties of Benzoic acid, 2-acetyloxy-, tert.-butyldimethylsilyl ester (CAS 129512-44-3)

InChI

InChI=1S/C15H22O4Si/c1-11(16)18-13-10-8-7-9-12(13)14(17)19-20(5,6)15(2,3)4/h7-10H,1-6H3

InChI Key

PTUZUDDOZGCNTE-UHFFFAOYSA-N

Formula

C15H22O4Si

SMILES

CC(=O)Oc1ccccc1C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

294.42

CAS

129512-44-3

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-3.43		Relay (1.0) Calculated Property
logPoct/wat	3.774		Crippen Calculated Property
Inp	[1752.00; 1790.80]
Inp	1752.00		NIST
Inp	1790.80		NIST
Inp	1752.00		NIST
Tboil	572.93	K	Relay (1.0) Calculated Property
Tfus	316.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 Benzoic acid, 2-acetyloxy-, 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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