Chemical Properties of 3,5-Di-tert-butyl-4-hydroxybenzoic acid, tert-butyldimethylsilyl ester

InChI

InChI=1S/C21H36O3Si/c1-19(2,3)15-12-14(13-16(17(15)22)20(4,5)6)18(23)24-25(10,11)21(7,8)9/h12-13,22H,1-11H3

InChI Key

KBKIFSSJQAIYIG-UHFFFAOYSA-N

Formula

C21H36O3Si

SMILES

CC(C)(C)c1cc(C(=O)O[Si](C)(C)C(C)(C)C)cc(C(C)(C)C)c1O

Molecular Weight¹

364.59

Other Names

• 3,5-Di-tert-butyl-4-hydroxybenzoic acid, tbdms derivative

• 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	0.8343		Relay (1.0) Calculated Property
ΔfG°	-192.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-837.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.64	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-5.52		Relay (1.0) Calculated Property
logPoct/wat	6.149		Crippen Calculated Property
Pc	1409.89	kPa	Relay (1.0-beta) Calculated Property
Inp	[2167.40; 2167.40]
Inp	2167.40		NIST
Inp	2167.40		NIST
Tboil	582.76	K	Relay (1.0) Calculated Property
Tc	856.68	K	Relay (1.0) Calculated Property
Tfus	399.39	K	Relay (1.0) Calculated Property
Vc	1.199	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Di-tert-butyl-4-hydroxybenzoic acid, tert-butyldimethylsilyl 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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