Chemical Properties of Benzoic acid, 3-(tert.-butyldimethylsilyloxy)-, methyl ester

InChI

InChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-12-9-7-8-11(10-12)13(15)16-4/h7-10H,1-6H3

InChI Key

QTPQDOOFCLYBBG-UHFFFAOYSA-N

Formula

C14H22O3Si

SMILES

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

Molecular Weight¹

266.41

• 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	0.6060		Relay (1.0) Calculated Property
ΔfG°	-186.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-635.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.857		Crippen Calculated Property
Pc	1778.08	kPa	Relay (1.0-beta) Calculated Property
Inp	[1691.00; 1691.00]
Inp	1691.00		NIST
Inp	1691.00		NIST
Tboil	562.02	K	Relay (1.0) Calculated Property
Tc	771.86	K	Relay (1.0) Calculated Property
Tfus	352.20	K	Relay (1.0) Calculated Property
Vc	0.800	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-(tert.-butyldimethylsilyloxy)-, 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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