Chemical Properties of Benzoic acid, 4-methoxy-, trimethylsilyl ester (CAS 2078-14-0)

InChI

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

InChI Key

AYGQUFGXOJWAHD-UHFFFAOYSA-N

Formula

C11H16O3Si

SMILES

COc1ccc(C(=O)O[Si](C)(C)C)cc1

Molecular Weight¹

224.33

CAS

2078-14-0

Other Names

• P-anisic acid, tms derivative
• Trimethylsilyl 4-methoxybenzoate
• p-Anisic acid, TMS

• 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.
• 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	-595.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	2.687		Crippen Calculated Property
Inp	[1495.00; 1534.00]
Inp	1531.00		NIST
Inp	1528.00		NIST
Inp	1529.00		NIST
Inp	1530.00		NIST
Inp	1530.00		NIST
Inp	1522.00		NIST
Inp	1522.00		NIST
Inp	1522.00		NIST
Inp	1523.00		NIST
Inp	1519.00		NIST
Inp	1520.00		NIST
Inp	1524.00		NIST
Inp	1530.00		NIST
Inp	1527.00		NIST
Inp	1534.00		NIST
Inp	1504.00		NIST
Inp	1526.00		NIST
Inp	Outlier 1495.00		NIST
Inp	1531.00		NIST
Inp	1522.00		NIST
Inp	1520.00		NIST
Inp	1504.00		NIST
Inp	1526.00		NIST
Tboil	547.38	K	Relay (1.0) Calculated Property
Tfus	311.33	K	Relay (1.0) Calculated Property

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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