Chemical Properties of Ethanol, (2-(3,4-dihydroxyphenyl)-, tris(trimethylsilyl)- (CAS 68595-80-2)

InChI

InChI=1S/C17H34O3Si3/c1-21(2,3)18-13-12-15-10-11-16(19-22(4,5)6)17(14-15)20-23(7,8)9/h10-11,14H,12-13H2,1-9H3

InChI Key

IAZRADYZGTUREJ-UHFFFAOYSA-N

Formula

C17H34O3Si3

SMILES

C[Si](C)(C)OCCc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1

Molecular Weight¹

370.71

CAS

68595-80-2

Other Names

• Ethanol, (2-(3,4-dihydroxyphenyl)-, (3TMS)

• 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	0.7236		Relay (... Calculated Property
ΔfG°	-150.53	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-872.17	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.01	kJ/mol	Relay (... Calculated Property
IE	8.55	eV	Relay (... Calculated Property
log10WS	-3.76		Relay (... Calculated Property
logPoct/wat	5.508		Crippen Calculated Property
Pc	680.80	kPa	Relay (... Calculated Property ⚠️
Inp	[1756.10; 1756.10]
Inp	1756.10		NIST
Inp	1756.10		NIST
Tboil	584.57	K	Relay (... Calculated Property
Tc	767.65	K	Relay (... Calculated Property
Tfus	291.39	K	Relay (... Calculated Property
Vc	1.241	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, (2-(3,4-dihydroxyphenyl)-, tris(trimethylsilyl)-.

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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