Chemical Properties of Dihydrochalcone, 2',6'-dihydroxy-4'-methoxy, bis-TMS

InChI

InChI=1S/C22H32O4Si2/c1-24-18-15-21(25-27(2,3)4)19(22(16-18)26-28(5,6)7)13-14-20(23)17-11-9-8-10-12-17/h8-12,15-16H,13-14H2,1-7H3

InChI Key

CZLQSZKEHUXCSU-UHFFFAOYSA-N

Formula

C22H32O4Si2

SMILES

COc1cc(O[Si](C)(C)C)c(CCC(=O)c2ccccc2)c(O[Si](C)(C)C)c1

Molecular Weight¹

416.66

Other Names

• Dihydrochalcone, 2',6'-dihydroxy-4'-methoxy, 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	0.8828		Relay (... Calculated Property
ΔfG°	-151.88	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-763.43	kJ/mol	Relay (... Calculated Property
ΔvapH°	101.81	kJ/mol	Relay (... Calculated Property
IE	8.27	eV	Relay (... Calculated Property
log10WS	-5.25		Relay (... Calculated Property
logPoct/wat	5.938		Crippen Calculated Property
Pc	499.56	kPa	Relay (... Calculated Property ⚠️
Inp	[2378.00; 2388.00]
Inp	2388.00		NIST
Inp	2378.00		NIST
Inp	2378.00		NIST
Inp	2388.00		NIST
Tboil	675.58	K	Relay (... Calculated Property
Tc	906.18	K	Relay (... Calculated Property
Tfus	387.26	K	Relay (... Calculated Property
Vc	1.287	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Dihydrochalcone, 2',6'-dihydroxy-4'-methoxy, bis-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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