Chemical Properties of Myricetin 6TMS (CAS 4067-68-9)

InChI

InChI=1S/C33H58O8Si6/c1-42(2,3)36-24-21-25-29(26(22-24)37-43(4,5)6)30(34)33(41-47(16,17)18)31(35-25)23-19-27(38-44(7,8)9)32(40-46(13,14)15)28(20-23)39-45(10,11)12/h19-22H,1-18H3

InChI Key

QWDLZFLTUKTITG-UHFFFAOYSA-N

Formula

C33H58O8Si6

SMILES

C[Si](C)(C)Oc1cc(O[Si](C)(C)C)c2c(=O)c(O[Si](C)(C)C)c(-c3cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c3)oc2c1

Molecular Weight¹

751.32

CAS

4067-68-9

• 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	1.3147		Relay (... Calculated Property
ΔfG°	-531.02	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1755.76	kJ/mol	Relay (... Calculated Property
ΔvapH°	110.45	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-7.87		Relay (... Calculated Property
logPoct/wat	10.742		Crippen Calculated Property
Pc	-1581.21	kPa	Relay (... Calculated Property ⚠️
Inp	[3207.30; 3207.30]
Inp	3207.30		NIST
Inp	3207.30		NIST
Tboil	775.72	K	Relay (... Calculated Property
Tc	1056.59	K	Relay (... Calculated Property
Tfus	386.55	K	Relay (... Calculated Property
Vc	2.373	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Myricetin 6TMS.

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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