Chemical Properties of Benzoic acid, 4-[(trimethylsilyl)oxy]-, methyl ester (CAS 27739-17-9)

InChI

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

InChI Key

UGFXQBRWNPEHCX-UHFFFAOYSA-N

Formula

C11H16O3Si

SMILES

COC(=O)c1ccc(O[Si](C)(C)C)cc1

Molecular Weight¹

224.33

CAS

27739-17-9

Other Names

• Benzoic acid, p-(trimethylsiloxy)-, methyl ester
• Methyl ester, trimethylsilyl ether of p-Hydroxybenzoic acid
• Methyl 4-[(trimethylsilyl)oxy]benzoate

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.5817		Relay (1.0) Calculated Property
ΔfG°	-230.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-598.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	2.687		Crippen Calculated Property
Pc	1785.96	kPa	Relay (1.0-beta) Calculated Property
Inp	[1504.00; 1504.00]
Inp	1504.00		NIST
Inp	1504.00		NIST
Tboil	539.60	K	Relay (1.0) Calculated Property
Tc	714.81	K	Relay (1.0) Calculated Property
Tfus	338.52	K	Relay (1.0) Calculated Property
Vc	0.674	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-[(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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