Chemical Properties of Dihydrogenistein (enol), TMS

InChI

InChI=1S/C27H44O5Si4/c1-33(2,3)29-21-15-13-20(14-16-21)23-19-28-24-17-22(30-34(4,5)6)18-25(31-35(7,8)9)26(24)27(23)32-36(10,11)12/h13-18H,19H2,1-12H3

InChI Key

LWULGJNSVIZUIP-UHFFFAOYSA-N

Formula

C27H44O5Si4

SMILES

C[Si](C)(C)OC1=C(c2ccc(O[Si](C)(C)C)cc2)COc2cc(O[Si](C)(C)C)cc(O[Si](C)(C)C)c21

Molecular Weight¹

560.98

• 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.
• 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	0.9847		Relay (1.0) Calculated Property
ΔfG°	-225.27	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1119.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	8.440		Crippen Calculated Property
Inp	[2798.00; 2798.00]
Inp	2798.00		NIST
Inp	2798.00		NIST
Tboil	710.41	K	Relay (1.0) Calculated Property
Tc	970.12	K	Relay (1.0) Calculated Property
Tfus	380.07	K	Relay (1.0) Calculated Property
Vc	1.764	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dihydrogenistein (enol), 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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