Chemical Properties of tert-Butyldimethylsilyl 4-((tert-butyldimethylsilyl)oxy)-3,5-dimethoxybenzoate

InChI

InChI=1S/C21H38O5Si2/c1-20(2,3)27(9,10)25-18-16(23-7)13-15(14-17(18)24-8)19(22)26-28(11,12)21(4,5)6/h13-14H,1-12H3

InChI Key

IMVHVWFNMTWNBT-UHFFFAOYSA-N

Formula

C21H38O5Si2

SMILES

COc1cc(C(=O)O[Si](C)(C)C(C)(C)C)cc(OC)c1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

426.69

Other Names

• 530-57-4, BDMS
• Syringic acid, TBDMS

• 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	0.8762		Relay (... Calculated Property
ΔfG°	-354.25	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1118.74	kJ/mol	Relay (... Calculated Property
ΔvapH°	80.10	kJ/mol	Relay (... Calculated Property
IE	8.09	eV	Relay (... Calculated Property
log10WS	-4.61		Relay (... Calculated Property
logPoct/wat	6.250		Crippen Calculated Property
Pc	936.29	kPa	Relay (... Calculated Property ⚠️
Inp	[2354.00; 2393.00]
Inp	2392.00		NIST
Inp	2393.00		NIST
Inp	2354.00		NIST
Inp	2392.00		NIST
Tboil	617.90	K	Relay (... Calculated Property
Tc	862.65	K	Relay (... Calculated Property
Tfus	387.16	K	Relay (... Calculated Property
Vc	1.344	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to tert-Butyldimethylsilyl 4-((tert-butyldimethylsilyl)oxy)-3,5-dimethoxybenzoate.

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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