Chemical Properties of Quercetin, 3,7,3',4'-tetra-TMS

InChI

InChI=1S/C27H42O7Si4/c1-35(2,3)31-19-16-20(28)24-23(17-19)30-26(27(25(24)29)34-38(10,11)12)18-13-14-21(32-36(4,5)6)22(15-18)33-37(7,8)9/h13-17,28H,1-12H3

InChI Key

VLVPTPLWQZRZCD-UHFFFAOYSA-N

Formula

C27H42O7Si4

SMILES

C[Si](C)(C)Oc1cc(O)c2c(=O)c(O[Si](C)(C)C)c(-c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3)oc2c1

Molecular Weight¹

590.96

• 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.
• 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	1.2050		Relay (1.0) Calculated Property
ΔfG°	-468.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1356.02	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	122.17	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-6.64		Relay (1.0) Calculated Property
logPoct/wat	8.020		Crippen Calculated Property
Inp	[3092.00; 3092.00]
Inp	3092.00		NIST
Inp	3092.00		NIST
Tboil	738.37	K	Relay (1.0) Calculated Property
Tc	1050.38	K	Relay (1.0) Calculated Property
Tfus	421.04	K	Relay (1.0) Calculated Property
Vc	1.798	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Quercetin, 3,7,3',4'-tetra-TMS.

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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