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

InChI

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

InChI Key

VAOOQOFSZUUMNJ-UHFFFAOYSA-N

Formula

C21H28O4Si2

SMILES

C[Si](C)(C)OC1=C(c2ccc(O)cc2)COc2cc(O[Si](C)(C)C)ccc21

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	0.8815		Relay (1.0) Calculated Property
ΔfG°	-157.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-701.30	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.62	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	5.718		Crippen Calculated Property
Pc	821.09	kPa	Relay (1.0-beta) Calculated Property
Inp	[2700.00; 2700.00]
Inp	2700.00		NIST
Inp	2700.00		NIST
Tboil	693.21	K	Relay (1.0) Calculated Property
Tc	966.31	K	Relay (1.0) Calculated Property
Tfus	398.67	K	Relay (1.0) Calculated Property
Vc	1.183	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dihydrodaidzein (enol) di-4,7-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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