Chemical Properties of 4-Bromophenoxyacetic acid, tert-butyldimethylsilyl ester

InChI

InChI=1S/C14H21BrO3Si/c1-14(2,3)19(4,5)18-13(16)10-17-12-8-6-11(15)7-9-12/h6-9H,10H2,1-5H3

InChI Key

SAKKGSWHVUYUEC-UHFFFAOYSA-N

Formula

C14H21BrO3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)COc1ccc(Br)cc1

Molecular Weight¹

345.30

Other Names

• tert-Butyl(dimethyl)silyl (4-bromophenoxy)acetate
• 4-Bromophenoxyacetic acid, tbdms derivative

• 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
logPoct/wat	4.376		Crippen Calculated Property
Inp	[1952.80; 1952.80]
Inp	1952.80		NIST
Inp	1952.80		NIST
Tboil	602.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy, 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 4-Bromophenoxyacetic acid, 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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