Chemical Properties of 2-Fluorobenzoic acid, trimethysilyl ester

InChI

InChI=1S/C10H13FO2Si/c1-14(2,3)13-10(12)8-6-4-5-7-9(8)11/h4-7H,1-3H3

InChI Key

VZVYGXOTUTVRSF-UHFFFAOYSA-N

Formula

C10H13FO2Si

SMILES

C[Si](C)(C)OC(=O)c1ccccc1F

Molecular Weight¹

212.30

Other Names

• Trimethylsilyl 2-fluorobenzoate

• 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.
• P_c : Critical Pressure (kPa).
• 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	-658.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-2.83		Relay (1.0) Calculated Property
logPoct/wat	2.817		Crippen Calculated Property
Pc	2050.34	kPa	Relay (1.0-beta) Calculated Property
Inp	[1282.00; 1282.00]
Inp	1282.00		NIST
Inp	1282.00		NIST
Tboil	488.42	K	Relay (1.0) Calculated Property
Tfus	252.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 2-Fluorobenzoic acid, trimethysilyl 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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