Chemical Properties of Wogonin, TMS

InChI

InChI=1S/C22H28O5Si2/c1-24-21-19(27-29(5,6)7)14-18(26-28(2,3)4)20-16(23)13-17(25-22(20)21)15-11-9-8-10-12-15/h8-14H,1-7H3

InChI Key

ZEXDCBIOLXVMKA-UHFFFAOYSA-N

Formula

C22H28O5Si2

SMILES

COc1c(O[Si](C)(C)C)cc(O[Si](C)(C)C)c2c(=O)cc(-c3ccccc3)oc12

Molecular Weight¹

428.63

• 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	0.8845		Relay (1.0) Calculated Property
ΔfG°	-224.64	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-748.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	113.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	5.896		Crippen Calculated Property
Pc	347.14	kPa	Relay (1.0-beta) Calculated Property
Inp	[2753.00; 2753.00]
Inp	2753.00		NIST
Inp	2753.00		NIST
Tboil	720.05	K	Relay (1.0) Calculated Property
Tc	984.56	K	Relay (1.0) Calculated Property
Tfus	419.29	K	Relay (1.0) Calculated Property
Vc	1.272	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Wogonin, 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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