Chemical Properties of Propanoic acid, 2-hydroxy-2-methyl-3-(4-hydroxy-3-methoxyphenyl), tris-TMS

InChI

InChI=1S/C20H38O5Si3/c1-20(25-28(9,10)11,19(21)24-27(6,7)8)15-16-12-13-17(18(14-16)22-2)23-26(3,4)5/h12-14H,15H2,1-11H3

InChI Key

RUODZGNCMAHFIP-UHFFFAOYSA-N

Formula

C20H38O5Si3

SMILES

COc1cc(CC(C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C

Molecular Weight¹

442.77

• 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	0.8329		Relay (1.0) Calculated Property
ΔfG°	-396.33	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1218.56	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-3.36		Relay (1.0) Calculated Property
logPoct/wat	5.440		Crippen Calculated Property
Pc	348.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[2030.00; 2030.00]
Inp	2030.00		NIST
Inp	2030.00		NIST
Tboil	608.02	K	Relay (1.0) Calculated Property
Tc	806.51	K	Relay (1.0) Calculated Property
Tfus	332.61	K	Relay (1.0) Calculated Property
Vc	1.419	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-hydroxy-2-methyl-3-(4-hydroxy-3-methoxyphenyl), tris-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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