Chemical Properties of Benzoic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester

InChI

InChI=1S/C25H48O4Si3/c1-23(2,3)30(10,11)27-20-18-16-17-19(21(20)28-31(12,13)24(4,5)6)22(26)29-32(14,15)25(7,8)9/h16-18H,1-15H3

InChI Key

FPKUXFNIWAADGR-UHFFFAOYSA-N

Formula

C25H48O4Si3

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

496.90

Other Names

• tert-Butyl(dimethyl)silyl 2,3-bispyrrol[tert-butyl(dimethyl)silyl]oxymorphobenzoate
• 2,3-Dihydroxybenzoic acid, 3tbdms 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	0.8657		Relay (1.0) Calculated Property
ΔfG°	-231.85	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1183.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-5.82		Relay (1.0) Calculated Property
logPoct/wat	8.617		Crippen Calculated Property
Pc	767.81	kPa	Relay (1.0-beta) Calculated Property
Inp	[2408.00; 2408.00]
Inp	2408.00		NIST
Inp	2408.00		NIST
Tboil	623.51	K	Relay (1.0) Calculated Property
Tc	892.02	K	Relay (1.0) Calculated Property
Tfus	364.11	K	Relay (1.0) Calculated Property
Vc	1.655	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, 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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