Chemical Properties of 4-Bromoguaiacol, trimethylsilyl ether

InChI

InChI=1S/C10H15BrO2Si/c1-12-10-7-8(11)5-6-9(10)13-14(2,3)4/h5-7H,1-4H3

InChI Key

RNPOJXMVZIEWSN-UHFFFAOYSA-N

Formula

C10H15BrO2Si

SMILES

COc1cc(Br)ccc1O[Si](C)(C)C

Molecular Weight¹

275.21

Other Names

• 4-Bromoguaiacol, tms 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	3.671		Crippen Calculated Property
Inp	[1500.10; 1500.10]
Inp	1500.10		NIST
Inp	1500.10		NIST
Tboil	547.16	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-Bromoguaiacol, trimethylsilyl ether.

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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