Chemical Properties of 4'-Hydroxy-3'-methoxyacetophenone, trimethylsilyl ether

InChI

InChI=1S/C12H18O3Si/c1-9(13)10-6-7-11(12(8-10)14-2)15-16(3,4)5/h6-8H,1-5H3

InChI Key

MKPNSCQBWMXUEF-UHFFFAOYSA-N

Formula

C12H18O3Si

SMILES

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

Molecular Weight¹

238.35

Other Names

• Acetovanillone, tms derivative

• 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	0.6142		Relay (... Calculated Property
ΔfG°	-206.81	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-579.00	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.48	kJ/mol	Relay (... Calculated Property
IE	8.58	eV	Relay (... Calculated Property
log10WS	-2.66		Relay (... Calculated Property
logPoct/wat	3.111		Crippen Calculated Property
Pc	1669.59	kPa	Relay (... Calculated Property ⚠️
Inp	[1626.10; 1626.10]
Inp	1626.10		NIST
Inp	1626.10		NIST
Tboil	561.24	K	Relay (... Calculated Property
Tc	746.48	K	Relay (... Calculated Property
Tfus	346.00	K	Relay (... Calculated Property
Vc	0.730	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4'-Hydroxy-3'-methoxyacetophenone, trimethylsilyl ether.

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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