Chemical Properties of Flavanone, 3,5,7-trihydroxy, TMS

InChI

InChI=1S/C24H36O5Si3/c1-30(2,3)27-18-15-19-21(20(16-18)28-31(4,5)6)22(25)24(29-32(7,8)9)23(26-19)17-13-11-10-12-14-17/h10-16,23-24H,1-9H3

InChI Key

AONLCEUOCFEYLB-UHFFFAOYSA-N

Formula

C24H36O5Si3

SMILES

C[Si](C)(C)Oc1cc2c(c(O[Si](C)(C)C)c1)C(=O)C(O[Si](C)(C)C)C(c1ccccc1)O2

Molecular Weight¹

488.80

Other Names

• Flavanone, 3,5,7-trihydroxy, tris-TMS

• 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	0.8275		Relay (... Calculated Property
ΔfG°	-284.70	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1007.54	kJ/mol	Relay (... Calculated Property
ΔvapH°	101.93	kJ/mol	Relay (... Calculated Property
IE	8.42	eV	Relay (... Calculated Property
log10WS	-5.44		Relay (... Calculated Property
logPoct/wat	6.651		Crippen Calculated Property
Pc	157.91	kPa	Relay (... Calculated Property ⚠️
Inp	[2573.00; 2583.00]
Inp	2573.00		NIST
Inp	2583.00		NIST
Inp	2577.00		NIST
Inp	2577.00		NIST
Tboil	680.71	K	Relay (... Calculated Property
Tc	963.85	K	Relay (... Calculated Property
Tfus	375.35	K	Relay (... Calculated Property
Vc	1.489	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Flavanone, 3,5,7-trihydroxy, 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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