Chemical Properties of m-Anisic acid, 4-(trimethylsiloxy)-, methyl ester (CAS 27798-53-4)

InChI

InChI=1S/C12H18O4Si/c1-14-11-8-9(12(13)15-2)6-7-10(11)16-17(3,4)5/h6-8H,1-5H3

InChI Key

NWDAPAUIUGXPOJ-UHFFFAOYSA-N

Formula

C12H18O4Si

SMILES

COC(=O)c1ccc(O[Si](C)(C)C)c(OC)c1

Molecular Weight¹

254.35

CAS

27798-53-4

Other Names

• Methyl 3-methoxy-4-[(trimethylsilyl)oxy]benzoate
• Methyl vanillate, trimethylsilyl ether
• Benzoic acid, 3-methoxy-4-[(trimethylsilyl)oxy]-, methyl ester
• Methyl vanillate, 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	0.6709		Relay (... Calculated Property
ΔfG°	-329.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-752.91	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.97	kJ/mol	Relay (... Calculated Property
IE	8.54	eV	Relay (... Calculated Property
log10WS	-2.90		Relay (... Calculated Property
logPoct/wat	2.696		Crippen Calculated Property
Pc	1508.68	kPa	Relay (... Calculated Property ⚠️
Inp	[1652.60; 1652.60]
Inp	1652.60		NIST
Inp	1652.60		NIST
Tboil	562.86	K	Relay (... Calculated Property
Tc	743.12	K	Relay (... Calculated Property
Tfus	351.15	K	Relay (... Calculated Property
Vc	0.755	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to m-Anisic acid, 4-(trimethylsiloxy)-, methyl ester.

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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