Chemical Properties of Baicalein, TMS

InChI

InChI=1S/C24H34O5Si3/c1-30(2,3)27-21-16-20-22(18(25)15-19(26-20)17-13-11-10-12-14-17)24(29-32(7,8)9)23(21)28-31(4,5)6/h10-16H,1-9H3

InChI Key

CEHSKUAHPOYRLD-UHFFFAOYSA-N

Formula

C24H34O5Si3

SMILES

C[Si](C)(C)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O[Si](C)(C)C)c1O[Si](C)(C)C

Molecular Weight¹

486.78

• 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	0.9312		Relay (1.0) Calculated Property
ΔfG°	-220.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-893.15	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-5.64		Relay (1.0) Calculated Property
logPoct/wat	7.101		Crippen Calculated Property
Pc	14.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[2861.30; 2904.90]
Inp	2861.30		NIST
Inp	2904.90		NIST
Inp	2861.30		NIST
Tboil	723.27	K	Relay (1.0) Calculated Property
Tc	990.69	K	Relay (1.0) Calculated Property
Tfus	414.57	K	Relay (1.0) Calculated Property
Vc	1.492	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Baicalein, 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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