Chemical Properties of Benzoic acid, 4-bromo, TMS

InChI

InChI=1S/C10H13BrO2Si/c1-14(2,3)13-10(12)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChI Key

QGZBFRDBCKZODQ-UHFFFAOYSA-N

Formula

C10H13BrO2Si

SMILES

C[Si](C)(C)OC(=O)c1ccc(Br)cc1

Molecular Weight¹

273.20

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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
ΔfH°gas	-438.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-3.84		Relay (1.0) Calculated Property
logPoct/wat	3.441		Crippen Calculated Property
Inp	[1479.00; 1485.00]
Inp	1479.00		NIST
Inp	1485.00		NIST
Inp	1479.00		NIST
Inp	1485.00		NIST
Tboil	547.88	K	Relay (1.0) Calculated Property
Tfus	329.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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, 4-bromo, 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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