Chemical Properties of Bisphenol, bis(tert-butyldimethylsilyl) ether

InChI

InChI=1S/C27H44O2Si2/c1-25(2,3)30(9,10)28-23-17-13-21(14-18-23)27(7,8)22-15-19-24(20-16-22)29-31(11,12)26(4,5)6/h13-20H,1-12H3

InChI Key

UBQOPYRGNNTVOC-UHFFFAOYSA-N

Formula

C27H44O2Si2

SMILES

CC(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

Molecular Weight¹

456.81

Other Names

• Bisphenol a, 2tbdms 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	0.7650		Relay (... Calculated Property
ΔfG°	132.94	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-609.03	kJ/mol	Relay (... Calculated Property
ΔvapH°	94.43	kJ/mol	Relay (... Calculated Property
IE	7.83	eV	Relay (... Calculated Property
log10WS	-7.06		Relay (... Calculated Property
logPoct/wat	8.780		Crippen Calculated Property
Pc	880.23	kPa	Relay (... Calculated Property ⚠️
Inp	[2723.10; 2723.10]
Inp	2723.10		NIST
Inp	2723.10		NIST
Tboil	648.52	K	Relay (... Calculated Property
Tc	922.92	K	Relay (... Calculated Property
Tfus	387.03	K	Relay (... Calculated Property
Vc	1.519	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Bisphenol, bis(tert-butyldimethylsilyl) ether.

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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