Chemical Properties of Dihydrodaidzein (keto) mono-7-d9-TMS

InChI

InChI=1S/C18H20O4Si/c1-23(2,3)22-14-8-9-15-17(10-14)21-11-16(18(15)20)12-4-6-13(19)7-5-12/h4-10,16,19H,11H2,1-3H3

InChI Key

SWSCWDPLXNKSSP-UHFFFAOYSA-N

Formula

C18H20O4Si

SMILES

C[Si](C)(C)Oc1ccc2c(c1)OCC(c1ccc(O)cc1)C2=O

Molecular Weight¹

328.43

• 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	0.7890		Relay (1.0) Calculated Property
ΔfG°	-218.33	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-605.64	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	3.965		Crippen Calculated Property
Pc	1555.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[2658.00; 2658.00]
Inp	2658.00		NIST
Inp	2658.00		NIST
Tboil	686.12	K	Relay (1.0) Calculated Property
Tc	967.90	K	Relay (1.0) Calculated Property
Tfus	425.26	K	Relay (1.0) Calculated Property
Vc	0.913	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dihydrodaidzein (keto) mono-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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