Chemical Properties of Kaempferol, TMS

InChI

InChI=1S/C27H44O6Si4/c1-34(2,3)30-20-15-13-19(14-16-20)26-27(33-37(10,11)12)25(28)24-22(29-26)17-21(31-35(4,5)6)18-23(24)32-36(7,8)9/h13-18,26-27H,1-12H3

InChI Key

AGXLLZKIGNXIBX-UHFFFAOYSA-N

Formula

C27H44O6Si4

SMILES

C[Si](C)(C)Oc1ccc(C2Oc3cc(O[Si](C)(C)C)cc(O[Si](C)(C)C)c3C(=O)C2O[Si](C)(C)C)cc1

Molecular Weight¹

576.98

Other Names

• KAEMPFEROL 4TMS

• 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	0.9660		Relay (1.0) Calculated Property
ΔfG°	-388.28	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1317.31	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-6.16		Relay (1.0) Calculated Property
logPoct/wat	7.864		Crippen Calculated Property
Pc	-366.47	kPa	Relay (1.0-beta) Calculated Property
Inp	[3065.00; 3101.40]
Inp	3101.40		NIST
Inp	3065.00		NIST
Inp	3101.40		NIST
Inp	3065.00		NIST
Tboil	707.17	K	Relay (1.0) Calculated Property
Tc	987.31	K	Relay (1.0) Calculated Property
Tfus	376.66	K	Relay (1.0) Calculated Property
Vc	1.781	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Kaempferol, 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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