Chemical Properties of 4-Methyl-2-methoxyphenol, TMS ether

InChI

InChI=1S/C11H18O2Si/c1-9-6-7-10(11(8-9)12-2)13-14(3,4)5/h6-8H,1-5H3

InChI Key

ABIZNMPLNOLLOL-UHFFFAOYSA-N

Formula

C11H18O2Si

SMILES

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

Molecular Weight¹

210.34

Other Names

• 2-Methoxy-4-methylphenol, TMS

• 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	0.5279		Relay (... Calculated Property
ΔfG°	-88.70	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-428.82	kJ/mol	Relay (... Calculated Property
ΔvapH°	59.11	kJ/mol	Relay (... Calculated Property
IE	8.09	eV	Relay (... Calculated Property
log10WS	-2.77		Relay (... Calculated Property
logPoct/wat	3.217		Crippen Calculated Property
Pc	1843.28	kPa	Relay (... Calculated Property ⚠️
Inp	[1312.00; 1312.00]
Inp	1312.00		NIST
Inp	1312.00		NIST
Tboil	513.30	K	Relay (... Calculated Property
Tc	695.30	K	Relay (... Calculated Property
Tfus	299.15	K	Relay (... Calculated Property
Vc	0.672	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-2-methoxyphenol, TMS 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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