Chemical Properties of Dihydrodaidzein (keto) di-7,4'-d9-TMS

InChI

InChI=1S/C21H28O4Si2/c1-26(2,3)24-16-9-7-15(8-10-16)19-14-23-20-13-17(25-27(4,5)6)11-12-18(20)21(19)22/h7-13,19H,14H2,1-6H3

InChI Key

BQBZSNNYTOGRTC-UHFFFAOYSA-N

Formula

C21H28O4Si2

SMILES

C[Si](C)(C)Oc1ccc(C2COc3cc(O[Si](C)(C)C)ccc3C2=O)cc1

Molecular Weight¹

400.62

• 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	0.7820		Relay (... Calculated Property
ΔfG°	-174.66	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-734.87	kJ/mol	Relay (... Calculated Property
ΔvapH°	102.27	kJ/mol	Relay (... Calculated Property
IE	8.13	eV	Relay (... Calculated Property
log10WS	-5.25		Relay (... Calculated Property
logPoct/wat	5.473		Crippen Calculated Property
Pc	682.86	kPa	Relay (... Calculated Property ⚠️
Inp	[2650.00; 2650.00]
Inp	2650.00		NIST
Inp	2650.00		NIST
Tboil	691.97	K	Relay (... Calculated Property
Tc	952.19	K	Relay (... Calculated Property
Tfus	395.44	K	Relay (... Calculated Property
Vc	1.205	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Dihydrodaidzein (keto) di-7,4'-d9-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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