Chemical Properties of Benzaldehyde, 3-methoxy-4-[(trimethylsilyl)oxy]- (CAS 6689-43-6)

InChI

InChI=1S/C11H16O3Si/c1-13-11-7-9(8-12)5-6-10(11)14-15(2,3)4/h5-8H,1-4H3

InChI Key

PTXKWJXZIMEWED-UHFFFAOYSA-N

Formula

C11H16O3Si

SMILES

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

Molecular Weight¹

224.33

CAS

6689-43-6

Other Names

• m-Anisaldehyde, 4-(trimethylsiloxy)-
• Trimethylsilyl vanillin
• Vanillin, TMS
• Vanillin, trimethylsilyl ether
• Vanilline, TMS
• 3-Methoxy-4-[(trimethylsilyl)oxy]benzaldehyde
• Vanillin, 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	0.5843		Relay (... Calculated Property
ΔfG°	-185.24	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-515.97	kJ/mol	Relay (... Calculated Property
ΔvapH°	68.01	kJ/mol	Relay (... Calculated Property
IE	8.76	eV	Relay (... Calculated Property
log10WS	-2.30		Relay (... Calculated Property
logPoct/wat	2.721		Crippen Calculated Property
Pc	1941.28	kPa	Relay (... Calculated Property ⚠️
Inp	[1494.00; 1544.90]
Inp	1530.00		NIST
Inp	1529.00		NIST
Inp	1544.90		NIST
Inp	1494.00		NIST
Tboil	558.28	K	Relay (... Calculated Property
Tc	752.13	K	Relay (... Calculated Property
Tfus	337.00	K	Relay (... Calculated Property
Vc	0.666	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 3-methoxy-4-[(trimethylsilyl)oxy]-.

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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