Chemical Properties of 4'-Hydroxy-3'-methoxyacetophenone, tert-butyldimethylsilyl ether

InChI

InChI=1S/C15H24O3Si/c1-11(16)12-8-9-13(14(10-12)17-5)18-19(6,7)15(2,3)4/h8-10H,1-7H3

InChI Key

APNKCPNBQQKLDJ-UHFFFAOYSA-N

Formula

C15H24O3Si

SMILES

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

Molecular Weight¹

280.43

Other Names

• Acetovanillone, tbdms 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	0.6416		Relay (... Calculated Property
ΔfG°	-165.00	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-620.51	kJ/mol	Relay (... Calculated Property
ΔvapH°	73.85	kJ/mol	Relay (... Calculated Property
IE	8.36	eV	Relay (... Calculated Property
log10WS	-3.46		Relay (... Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
Pc	1697.04	kPa	Relay (... Calculated Property ⚠️
Inp	[1877.60; 1877.60]
Inp	1877.60		NIST
Inp	1877.60		NIST
Tboil	579.33	K	Relay (... Calculated Property
Tc	799.16	K	Relay (... Calculated Property
Tfus	372.08	K	Relay (... Calculated Property
Vc	0.854	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4'-Hydroxy-3'-methoxyacetophenone, tert-butyldimethylsilyl 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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