Chemical Properties of 3,4-Dihydroxybenzoic acid, bis(tert-butyldimethylsilyl) ether, tert-butyldimethylsilyl ester

InChI

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

InChI Key

JCJACHCJNGAAAR-UHFFFAOYSA-N

Formula

C25H48O4Si3

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1

Molecular Weight¹

496.90

Other Names

• Protocatechoic 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	0.8727		Relay (... Calculated Property
ΔfG°	-230.53	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1202.56	kJ/mol	Relay (... Calculated Property
ΔvapH°	79.39	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-5.93		Relay (... Calculated Property
logPoct/wat	8.617		Crippen Calculated Property
Pc	798.76	kPa	Relay (... Calculated Property ⚠️
Inp	[2510.10; 2538.00]
Inp	2510.10		NIST
Inp	2529.00		NIST
Inp	2538.00		NIST
Inp	2511.00		NIST
Inp	2529.00		NIST
Inp	2510.10		NIST
Tboil	626.01	K	Relay (... Calculated Property
Tc	890.13	K	Relay (... Calculated Property
Tfus	391.88	K	Relay (... Calculated Property
Vc	1.657	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dihydroxybenzoic acid, bis(tert-butyldimethylsilyl) ether, 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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