Chemical Properties of Benzoic acid, 3-[(trimethylsilyl)oxy]-, methyl ester (CAS 27798-50-1)

InChI

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

InChI Key

NEJLFAOQVKBWGF-UHFFFAOYSA-N

Formula

C11H16O3Si

SMILES

COC(=O)c1cccc(O[Si](C)(C)C)c1

Molecular Weight¹

224.33

CAS

27798-50-1

Other Names

• Benzoic acid, m-(trimethylsiloxy)-, methyl ester
• Methyl 3-[(trimethylsilyl)oxy]benzoate
• Methyl ester, trimethylsilyl ether of m-Hydroxybenzoic acid

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5762		Relay (1.0) Calculated Property
ΔfH°gas	-592.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	2.687		Crippen Calculated Property
Pc	1750.15	kPa	Relay (1.0-beta) Calculated Property
Inp	[1462.00; 1462.00]
Inp	1462.00		NIST
Inp	1462.00		NIST
Tboil	536.58	K	Relay (1.0) Calculated Property
Tc	721.73	K	Relay (1.0) Calculated Property
Tfus	295.13	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Benzoic acid, 3-[(trimethylsilyl)oxy]-, methyl 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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