Chemical Properties of Benzoic acid, 2-methoxy-, trimethylsilyl ester (CAS 25436-32-2)

InChI

InChI=1S/C11H16O3Si/c1-13-10-8-6-5-7-9(10)11(12)14-15(2,3)4/h5-8H,1-4H3

InChI Key

LWBFIZBQVRDUMY-UHFFFAOYSA-N

Formula

C11H16O3Si

SMILES

COc1ccccc1C(=O)O[Si](C)(C)C

Molecular Weight¹

224.33

CAS

25436-32-2

Other Names

• O-anisic acid, tms derivative
• Trimethylsilyl 2-methoxybenzoate

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical 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	-592.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-2.80		Relay (1.0) Calculated Property
logPoct/wat	2.687		Crippen Calculated Property
Pc	1790.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[1431.00; 1469.00]
Inp	1469.00		NIST
Inp	1431.00		NIST
Tboil	540.75	K	Relay (1.0) Calculated Property
Tc	725.86	K	Relay (1.0) Calculated Property
Tfus	271.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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-methoxy-, trimethylsilyl 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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