Chemical Properties of Benzoic acid, 3-methoxy-, trimethylsilyl ester (CAS 959111-51-4)

InChI

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

InChI Key

PPUSJGXNIQTKKU-UHFFFAOYSA-N

Formula

C11H16O3Si

SMILES

COc1cccc(C(=O)O[Si](C)(C)C)c1

Molecular Weight¹

224.33

CAS

959111-51-4

Other Names

• Benzoic acid, 3-methoxy, TMS

• 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	0.5951		Relay (... Calculated Property
ΔfG°	-233.34	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-587.29	kJ/mol	Relay (... Calculated Property
ΔvapH°	69.65	kJ/mol	Relay (... Calculated Property
IE	8.56	eV	Relay (... Calculated Property
log10WS	-2.97		Relay (... Calculated Property
logPoct/wat	2.687		Crippen Calculated Property
Pc	1799.50	kPa	Relay (... Calculated Property ⚠️
Inp	[1455.00; 1485.00]
Inp	1485.00		NIST
Inp	1455.00		NIST
Tboil	544.93	K	Relay (... Calculated Property
Tc	720.94	K	Relay (... Calculated Property
Tfus	279.71	K	Relay (... Calculated Property
Vc	0.675	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-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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